N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide

C15H14ClFN2O — CID 117044896

IUPACN-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-6-13(16)12(7-14(9)17)15(20)19-11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQXKCPDXIZKWKQM-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.50
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide

N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide (PubChem CID 117044896) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
PubChem CID117044896
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-6-13(16)12(7-14(9)17)15(20)19-11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQXKCPDXIZKWKQM-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
5-(aminomethyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63722889
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide (CID 117044896) is N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide is Cc1cc(Cl)c(C(=O)Nc2ccc(CN)cc2)cc1F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide?
The InChIKey is QXKCPDXIZKWKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-6-13(16)12(7-14(9)17)15(20)19-11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide?
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 117044896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).