N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide

C14H12ClFN2O — CID 28754405

IUPACN-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESNCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyBFTFLXBOSQTKMY-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide

N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide (PubChem CID 28754405) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
PubChem CID28754405
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESNCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyBFTFLXBOSQTKMY-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

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide (CID 28754405) is N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide is NCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is BFTFLXBOSQTKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-10-6-4-9(8-17)5-7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide?
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide 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 N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 28754405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).