2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide

C20H22ClN3O2 — CID 34296118

IUPAC2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c21-17-13-15(9-10-16(17)19(22)25)23-18(14-7-3-1-4-8-14)20(26)24-11-5-2-6-12-24/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2,(H2,22,25)/t18-/m1/s1
InChIKeyPKTJEIRAPUUKLC-GOSISDBHSA-N
MW371.87 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide

2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide (PubChem CID 34296118) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
PubChem CID34296118
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c21-17-13-15(9-10-16(17)19(22)25)23-18(14-7-3-1-4-8-14)20(26)24-11-5-2-6-12-24/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2,(H2,22,25)/t18-/m1/s1
InChIKeyPKTJEIRAPUUKLC-GOSISDBHSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
(2S)-2-(1,3-benzodioxol-5-ylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41119455
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
CID 18269468
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-phenyl-1-piperidin-1-ylethanone
CID 47013128
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
(2S)-2-phenyl-1-piperidin-1-yl-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]ethanone
CID 25384050
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-morpholin-4-yl-2-phenylethanone
CID 9296614
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897353
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide (CID 34296118) is 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide is NC(=O)c1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide?
The InChIKey is PKTJEIRAPUUKLC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-13-15(9-10-16(17)19(22)25)23-18(14-7-3-1-4-8-14)20(26)24-11-5-2-6-12-24/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2,(H2,22,25)/t18-/m1/s1.
What are the key properties of 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide?
2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide has a molecular weight of 371.87 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide is sourced from PubChem (CID 34296118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).