2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide

C17H16Cl2N2O2 — CID 9218518

IUPAC2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-6-8-13(18)9-7-12)21-16(22)10-20-17(23)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyYTMXBHSPBFIMEV-LLVKDONJSA-N
MW351.23 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide

2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9218518) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID9218518
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-6-8-13(18)9-7-12)21-16(22)10-20-17(23)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyYTMXBHSPBFIMEV-LLVKDONJSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
CID 123643461
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 9218518) is 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide is C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is YTMXBHSPBFIMEV-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(12-6-8-13(18)9-7-12)21-16(22)10-20-17(23)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9218518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).