4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide

C14H12ClN3O3 — CID 43708452

IUPAC4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12ClN3O3/c15-12-6-5-11(7-13(12)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,8,16H2,(H,17,19)
InChIKeyBZZCVDWJKNRRER-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.96
Rot. Bonds4

About 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide

4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide (PubChem CID 43708452) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
PubChem CID43708452
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12ClN3O3/c15-12-6-5-11(7-13(12)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,8,16H2,(H,17,19)
InChIKeyBZZCVDWJKNRRER-UHFFFAOYSA-N
XLogP2.96
TPSA98.26 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 ≤ 52.96
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

4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
CID 575351
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide (CID 43708452) is 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide is NCc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
The InChIKey is BZZCVDWJKNRRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12-6-5-11(7-13(12)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,8,16H2,(H,17,19).
What are the key properties of 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide?
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide has a molecular weight of 305.72 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide is sourced from PubChem (CID 43708452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).