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

C14H12FN3O3 — CID 43708425

IUPAC4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12FN3O3/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)
InChIKeyIULJSZACXTXWIP-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.44
Rot. Bonds4

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

4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 43708425) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID43708425
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12FN3O3/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)
InChIKeyIULJSZACXTXWIP-UHFFFAOYSA-N
XLogP2.44
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.44
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-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide (CID 43708425) is 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide is NCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is IULJSZACXTXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/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-fluoro-3-nitrophenyl)benzamide?
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 2.44, 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-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 43708425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).