3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide

C16H16ClFN2O — CID 115930610

IUPAC3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(N)c2Cl)cc(C)c1F
InChIInChI=1S/C16H16ClFN2O/c1-9-6-11(7-10(2)15(9)18)8-20-16(21)12-4-3-5-13(19)14(12)17/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyVHACAWPLVRPLHU-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.61
Rot. Bonds3

About 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide

3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide (PubChem CID 115930610) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
PubChem CID115930610
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(N)c2Cl)cc(C)c1F
InChIInChI=1S/C16H16ClFN2O/c1-9-6-11(7-10(2)15(9)18)8-20-16(21)12-4-3-5-13(19)14(12)17/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyVHACAWPLVRPLHU-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.61
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-[(3-methylphenyl)methyl]benzamide
CID 112575105
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide (CID 115930610) is 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(N)c2Cl)cc(C)c1F.
What is the InChIKey of 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide?
The InChIKey is VHACAWPLVRPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-9-6-11(7-10(2)15(9)18)8-20-16(21)12-4-3-5-13(19)14(12)17/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide?
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide has a molecular weight of 306.77 g/mol, XLogP of 3.61, 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-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 115930610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).