4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide

C14H12ClFN2O2 — CID 107075151

IUPAC4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-8(1-3-11(10)16)7-18-14(20)9-2-4-12(17)13(19)6-9/h1-6,19H,7,17H2,(H,18,20)
InChIKeyNNXLJHMZROHWJQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.70
Rot. Bonds3

About 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide

4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide (PubChem CID 107075151) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
PubChem CID107075151
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESNc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-8(1-3-11(10)16)7-18-14(20)9-2-4-12(17)13(19)6-9/h1-6,19H,7,17H2,(H,18,20)
InChIKeyNNXLJHMZROHWJQ-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
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
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide (CID 107075151) is 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide is Nc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1O.
What is the InChIKey of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide?
The InChIKey is NNXLJHMZROHWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-10-5-8(1-3-11(10)16)7-18-14(20)9-2-4-12(17)13(19)6-9/h1-6,19H,7,17H2,(H,18,20).
What are the key properties of 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide?
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide has a molecular weight of 294.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 107075151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).