4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide

C15H13ClN2O3 — CID 22291073

IUPAC4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-7-13(18(20)21)8-14(10)17-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeySFZUIOURNMTAAD-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.89
Rot. Bonds4

About 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide

4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 22291073) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID22291073
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-7-13(18(20)21)8-14(10)17-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeySFZUIOURNMTAAD-UHFFFAOYSA-N
XLogP3.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
4-[4-[(2-methyl-5-nitroanilino)methoxy]phenoxy]-N-(2-methyl-5-nitrophenyl)benzamide
CID 23531488
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide (CID 22291073) is 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is SFZUIOURNMTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-2-7-13(18(20)21)8-14(10)17-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide?
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 304.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 22291073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).