4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide

C17H17ClN2O4 — CID 18804059

IUPAC4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)c(OC)cc1NC(=O)CCl
InChIInChI=1S/C17H17ClN2O4/c1-23-14-9-13(20-16(21)10-18)15(24-2)8-12(14)17(22)19-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIYWYULCDROLXLJ-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.13
Rot. Bonds6

About 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide

4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide (PubChem CID 18804059) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
PubChem CID18804059
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)c(OC)cc1NC(=O)CCl
InChIInChI=1S/C17H17ClN2O4/c1-23-14-9-13(20-16(21)10-18)15(24-2)8-12(14)17(22)19-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIYWYULCDROLXLJ-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
CID 91138680
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
[3-methoxy-4-(phenylcarbamoyl)phenyl]boronic acid
CID 22346905
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide (CID 18804059) is 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide is COc1cc(C(=O)Nc2ccccc2)c(OC)cc1NC(=O)CCl.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide?
The InChIKey is IYWYULCDROLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-14-9-13(20-16(21)10-18)15(24-2)8-12(14)17(22)19-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide?
4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide has a molecular weight of 348.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 18804059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).