4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide

C14H12ClFN2O — CID 28969294

IUPAC4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyOJFPYUFLGDBRNL-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds3

About 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide

4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide (PubChem CID 28969294) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
PubChem CID28969294
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyOJFPYUFLGDBRNL-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
(3-chloro-2-fluorophenyl)urea
CID 28969166
5-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)thiophene-3-carboxamide
CID 79683623
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(3-chloro-2-fluorophenyl)-4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]benzamide
CID 53135445
4-(2-amino-2-oxoethyl)-N-(2,3-dichlorophenyl)benzamide
CID 14883992
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30599996
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide (CID 28969294) is 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide is NCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide?
The InChIKey is OJFPYUFLGDBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(13(11)16)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide?
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide has a molecular weight of 278.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 28969294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).