N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide

C15H13ClN2O3 — CID 2172543

IUPACN-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyXYSXDEGGUDLZAR-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 2172543) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide
PubChem CID2172543
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyXYSXDEGGUDLZAR-UHFFFAOYSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
N-(4-chlorophenyl)-2-(4-nitrophenyl)acetamide
CID 698255
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
4-Chloro-3-nitrobenzanilide
CID 96073
N-benzyl-4-chloro-N-ethyl-2-nitrobenzamide
CID 789142
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 2181642
(E)-N-[(2-chlorophenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2418253
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3257222
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 8025929
4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
CID 9509562
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide
CID 2225138

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide (CID 2172543) is N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is XYSXDEGGUDLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-5-11(6-8-13)10-17-15(19)9-12-3-1-2-4-14(12)18(20)21/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2172543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).