N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide

C23H21ClN2O3 — CID 112772541

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-29-20-10-6-5-9-19(20)23(28)25-15-21(27)26-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQNMCOWWQNYMIDE-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.98
Rot. Bonds7

About N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 112772541) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID112772541
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-29-20-10-6-5-9-19(20)23(28)25-15-21(27)26-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyQNMCOWWQNYMIDE-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide (CID 112772541) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is QNMCOWWQNYMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-29-20-10-6-5-9-19(20)23(28)25-15-21(27)26-22(16-7-3-2-4-8-16)17-11-13-18(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 408.89 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 112772541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).