4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide

C15H14ClFN2O — CID 62537954

IUPAC4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-19-15(20)12-4-1-10(8-18)2-5-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeySXNQMRBLVDAAKD-UHFFFAOYSA-N
MW292.74 g/mol
LogP2.87
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide

4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide (PubChem CID 62537954) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
PubChem CID62537954
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-19-15(20)12-4-1-10(8-18)2-5-12/h1-7H,8-9,18H2,(H,19,20)
InChIKeySXNQMRBLVDAAKD-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide (CID 62537954) is 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide is NCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide?
The InChIKey is SXNQMRBLVDAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-11(3-6-14(13)17)9-19-15(20)12-4-1-10(8-18)2-5-12/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide?
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide has a molecular weight of 292.74 g/mol, XLogP of 2.87, 4 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-4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 62537954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).