N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide

C20H23ClN2O2 — CID 7316761

IUPACN-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyOAKHBFOEGJTVPH-HNNXBMFYSA-N
MW358.87 g/mol
LogP4.20
Rot. Bonds8

About N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide

N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide (PubChem CID 7316761) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
PubChem CID7316761
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyOAKHBFOEGJTVPH-HNNXBMFYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N'-[(2R)-4-phenylbutan-2-yl]butanediamide
CID 7316762
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium
CID 9167007
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chlorobenzoate
CID 2365167
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide (CID 7316761) is N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide is C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide?
The InChIKey is OAKHBFOEGJTVPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)13-14-20(25)23-18-11-9-17(21)10-12-18/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide?
N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide is sourced from PubChem (CID 7316761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).