N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide

C14H11ClN2O3 — CID 711327

IUPACN-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-2-3-10(8-13(9)17(19)20)14(18)16-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,16,18)
InChIKeyJOXZBGUQDYQMPE-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.81
Rot. Bonds3

About N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide

N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide (PubChem CID 711327) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
PubChem CID711327
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-2-3-10(8-13(9)17(19)20)14(18)16-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,16,18)
InChIKeyJOXZBGUQDYQMPE-UHFFFAOYSA-N
XLogP3.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.81
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

N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
CID 3019588
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
CID 1363588
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
5-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide (CID 711327) is N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is JOXZBGUQDYQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-2-3-10(8-13(9)17(19)20)14(18)16-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide?
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 290.71 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 711327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).