N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide

C25H25Cl2N3O2 — CID 44572425

IUPACN-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
SMILESN[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C25H25Cl2N3O2/c26-19-11-12-21(22(27)15-19)24(31)30-23(14-18-9-5-2-6-10-18)25(32)29-16-20(28)13-17-7-3-1-4-8-17/h1-12,15,20,23H,13-14,16,28H2,(H,29,32)(H,30,31)/t20-,23+/m1/s1
InChIKeyDWWYEUGJDHYKSK-OFNKIYASSA-N
MW470.40 g/mol
LogP4.02
Rot. Bonds9

About N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide

N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide (PubChem CID 44572425) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
PubChem CID44572425
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC NameN-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
SMILESN[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C25H25Cl2N3O2/c26-19-11-12-21(22(27)15-19)24(31)30-23(14-18-9-5-2-6-10-18)25(32)29-16-20(28)13-17-7-3-1-4-8-17/h1-12,15,20,23H,13-14,16,28H2,(H,29,32)(H,30,31)/t20-,23+/m1/s1
InChIKeyDWWYEUGJDHYKSK-OFNKIYASSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-sulfanylpropan-2-yl]-2,4-dichlorobenzamide
CID 44572575
2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 93099916
(2S,3R)-2-[[(2S)-2-[[2-[(2S)-2-amino-3-phenylpropoxy]-4-chlorobenzoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid
CID 155989574
(2S,3S)-2-[[(2S)-2-[[2-[(2S)-2-amino-3-phenylpropoxy]-4-chlorobenzoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid
CID 155989573
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
2-[[(2S)-2-[[2-[(2S)-2-amino-3-methylbutoxy]-4-chlorobenzoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 155989559
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
(2S)-6-amino-2-[[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoic acid
CID 44572321
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
CID 131851120

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide (CID 44572425) is N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide is N[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is DWWYEUGJDHYKSK-OFNKIYASSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2/c26-19-11-12-21(22(27)15-19)24(31)30-23(14-18-9-5-2-6-10-18)25(32)29-16-20(28)13-17-7-3-1-4-8-17/h1-12,15,20,23H,13-14,16,28H2,(H,29,32)(H,30,31)/t20-,23+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide?
N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 470.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 44572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).