2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide

C17H18ClN3O3 — CID 24559562

IUPAC2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-24-15-8-7-13(9-14(15)18)21-16(22)11-20-17(23)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyVMZYKIJNNMOFKK-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.79
Rot. Bonds6

About 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 24559562) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID24559562
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-24-15-8-7-13(9-14(15)18)21-16(22)11-20-17(23)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyVMZYKIJNNMOFKK-UHFFFAOYSA-N
XLogP2.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 24559562) is 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is VMZYKIJNNMOFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-15-8-7-13(9-14(15)18)21-16(22)11-20-17(23)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 24559562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).