N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

C23H26BrCl2N3O2 — CID 68760296

IUPACN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(N)CN(C(=O)C1(c2ccc(Cl)cc2Cl)CC1)[C@@H](Cc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C23H26BrCl2N3O2/c1-22(2,28)13-29(19(20(27)30)11-14-3-5-15(24)6-4-14)21(31)23(9-10-23)17-8-7-16(25)12-18(17)26/h3-8,12,19H,9-11,13,28H2,1-2H3,(H2,27,30)/t19-/m0/s1
InChIKeyNMRAPDQUNJLCRC-IBGZPJMESA-N
MW527.29 g/mol
LogP4.45
Rot. Bonds8

About N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 68760296) has the molecular formula C23H26BrCl2N3O2 and a molecular weight of 527.29 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID68760296
Molecular FormulaC23H26BrCl2N3O2
Molecular Weight527.29 g/mol
Exact Mass525.06
IUPAC NameN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(N)CN(C(=O)C1(c2ccc(Cl)cc2Cl)CC1)[C@@H](Cc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C23H26BrCl2N3O2/c1-22(2,28)13-29(19(20(27)30)11-14-3-5-15(24)6-4-14)21(31)23(9-10-23)17-8-7-16(25)12-18(17)26/h3-8,12,19H,9-11,13,28H2,1-2H3,(H2,27,30)/t19-/m0/s1
InChIKeyNMRAPDQUNJLCRC-IBGZPJMESA-N
XLogP4.45
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.29
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 68755589
[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-methyl-[2-(methylamino)ethyl]azanium
CID 87562011
N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 76554619
[(2S)-1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]-methylazanium
CID 87564005
(2S)-2-[(4-bromophenyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoic acid
CID 504677
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
CID 68795430
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
2-[(4-bromophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132624353
1-(2,4-dichlorophenyl)-N-[(2S)-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865944
N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 75229212
N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 87562672
(2S)-2-[(4-bromophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100680294

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 68760296) is N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is CC(C)(N)CN(C(=O)C1(c2ccc(Cl)cc2Cl)CC1)[C@@H](Cc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NMRAPDQUNJLCRC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26BrCl2N3O2/c1-22(2,28)13-29(19(20(27)30)11-14-3-5-15(24)6-4-14)21(31)23(9-10-23)17-8-7-16(25)12-18(17)26/h3-8,12,19H,9-11,13,28H2,1-2H3,(H2,27,30)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 527.29 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 68760296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).