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

C14H12ClN3O3 — CID 62680843

IUPACN-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-16-12-8-9(2-7-13(12)18(20)21)14(19)17-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,19)
InChIKeyBJHZIQVTCNJADF-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.54
Rot. Bonds4

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

N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide (PubChem CID 62680843) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
PubChem CID62680843
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-16-12-8-9(2-7-13(12)18(20)21)14(19)17-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,19)
InChIKeyBJHZIQVTCNJADF-UHFFFAOYSA-N
XLogP3.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide
CID 155559598
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide (CID 62680843) is N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide is CNc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide?
The InChIKey is BJHZIQVTCNJADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-16-12-8-9(2-7-13(12)18(20)21)14(19)17-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide?
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide has a molecular weight of 305.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide is sourced from PubChem (CID 62680843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).