N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

C31H30ClN3O2 — CID 10229409

IUPACN-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(Nc1cccc(Cl)c1)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30ClN3O2/c32-27-17-10-18-28(22-27)33-31(37)34-29(21-25-13-6-2-7-14-25)30(36)35(23-26-15-8-3-9-16-26)20-19-24-11-4-1-5-12-24/h1-18,22,29H,19-21,23H2,(H2,33,34,37)
InChIKeyFOYQBMWZBSOPOC-UHFFFAOYSA-N
MW512.05 g/mol
LogP6.34
Rot. Bonds10

About N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 10229409) has the molecular formula C31H30ClN3O2 and a molecular weight of 512.05 g/mol. Its IUPAC name is N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID10229409
Molecular FormulaC31H30ClN3O2
Molecular Weight512.05 g/mol
Exact Mass511.20
IUPAC NameN-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(Nc1cccc(Cl)c1)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30ClN3O2/c32-27-17-10-18-28(22-27)33-31(37)34-29(21-25-13-6-2-7-14-25)30(36)35(23-26-15-8-3-9-16-26)20-19-24-11-4-1-5-12-24/h1-18,22,29H,19-21,23H2,(H2,33,34,37)
InChIKeyFOYQBMWZBSOPOC-UHFFFAOYSA-N
XLogP6.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.05
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42704142
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42704140
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
2-[(3,5-dichlorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4032418
2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
CID 57239303
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
CID 131851120
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
CID 7623387
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 10229409) is N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is O=C(Nc1cccc(Cl)c1)NC(Cc1ccccc1)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is FOYQBMWZBSOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN3O2/c32-27-17-10-18-28(22-27)33-31(37)34-29(21-25-13-6-2-7-14-25)30(36)35(23-26-15-8-3-9-16-26)20-19-24-11-4-1-5-12-24/h1-18,22,29H,19-21,23H2,(H2,33,34,37).
What are the key properties of N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 512.05 g/mol, XLogP of 6.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 10229409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).