2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide

C23H27ClN2O2 — CID 7688761

IUPAC2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C23H27ClN2O2/c24-20-15-9-8-14-19(20)23(28)26-21(17-10-4-3-5-11-17)16-22(27)25-18-12-6-1-2-7-13-18/h3-5,8-11,14-15,18,21H,1-2,6-7,12-13,16H2,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyGYGQUDVPVVUNSA-NRFANRHFSA-N
MW398.93 g/mol
LogP5.04
Rot. Bonds6

About 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 7688761) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID7688761
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C23H27ClN2O2/c24-20-15-9-8-14-19(20)23(28)26-21(17-10-4-3-5-11-17)16-22(27)25-18-12-6-1-2-7-13-18/h3-5,8-11,14-15,18,21H,1-2,6-7,12-13,16H2,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyGYGQUDVPVVUNSA-NRFANRHFSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide
CID 55694840
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55584115
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 51534256
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
2-chloro-N-[(1S)-3-[[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51962963
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide (CID 7688761) is 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1CCCCCC1.
What is the InChIKey of 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is GYGQUDVPVVUNSA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-20-15-9-8-14-19(20)23(28)26-21(17-10-4-3-5-11-17)16-22(27)25-18-12-6-1-2-7-13-18/h3-5,8-11,14-15,18,21H,1-2,6-7,12-13,16H2,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 398.93 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 7688761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).