3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide

C14H11ClF2N2O — CID 115930472

IUPAC3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C14H11ClF2N2O/c15-13-9(2-1-3-12(13)18)14(20)19-7-8-4-5-10(16)11(17)6-8/h1-6H,7,18H2,(H,19,20)
InChIKeyUUNDDRYJXSMFSR-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide

3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide (PubChem CID 115930472) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
PubChem CID115930472
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C14H11ClF2N2O/c15-13-9(2-1-3-12(13)18)14(20)19-7-8-4-5-10(16)11(17)6-8/h1-6H,7,18H2,(H,19,20)
InChIKeyUUNDDRYJXSMFSR-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
CID 102705403
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide (CID 115930472) is 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide is Nc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide?
The InChIKey is UUNDDRYJXSMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-13-9(2-1-3-12(13)18)14(20)19-7-8-4-5-10(16)11(17)6-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide?
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide has a molecular weight of 296.70 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 115930472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).