N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide

C15H14ClFN2O — CID 82880028

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
SMILESNCc1ccc(CNC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-12(5-6-14(13)17)15(20)19-9-11-3-1-10(8-18)2-4-11/h1-7H,8-9,18H2,(H,19,20)
InChIKeyKMVUBCJCBPCLCG-UHFFFAOYSA-N
MW292.74 g/mol
LogP2.87
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide

N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide (PubChem CID 82880028) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
PubChem CID82880028
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
SMILESNCc1ccc(CNC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-12(5-6-14(13)17)15(20)19-9-11-3-1-10(8-18)2-4-11/h1-7H,8-9,18H2,(H,19,20)
InChIKeyKMVUBCJCBPCLCG-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

4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide (CID 82880028) is N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide is NCc1ccc(CNC(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide?
The InChIKey is KMVUBCJCBPCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-12(5-6-14(13)17)15(20)19-9-11-3-1-10(8-18)2-4-11/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide 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 N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 82880028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).