4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide

C23H21ClN2O4 — CID 55414528

IUPAC4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1OCC(N)=O
InChIInChI=1S/C23H21ClN2O4/c1-29-20-13-17(9-12-19(20)30-14-21(25)27)23(28)26-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H2,25,27)(H,26,28)
InChIKeyZVWMRUSWNPZPCZ-UHFFFAOYSA-N
MW424.88 g/mol
LogP3.73
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide (PubChem CID 55414528) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
PubChem CID55414528
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1OCC(N)=O
InChIInChI=1S/C23H21ClN2O4/c1-29-20-13-17(9-12-19(20)30-14-21(25)27)23(28)26-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H2,25,27)(H,26,28)
InChIKeyZVWMRUSWNPZPCZ-UHFFFAOYSA-N
XLogP3.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
CID 95690732
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide (CID 55414528) is 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide?
The InChIKey is ZVWMRUSWNPZPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-29-20-13-17(9-12-19(20)30-14-21(25)27)23(28)26-22(15-5-3-2-4-6-15)16-7-10-18(24)11-8-16/h2-13,22H,14H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide has a molecular weight of 424.88 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide is sourced from PubChem (CID 55414528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).