5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide

C15H13ClF2N2O — CID 61118192

IUPAC5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H13ClF2N2O/c1-20(8-9-3-2-4-10(16)5-9)15(21)11-6-14(19)13(18)7-12(11)17/h2-7H,8,19H2,1H3
InChIKeyOCQREKCTSQSSCB-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.47
Rot. Bonds3

About 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide

5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide (PubChem CID 61118192) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
PubChem CID61118192
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H13ClF2N2O/c1-20(8-9-3-2-4-10(16)5-9)15(21)11-6-14(19)13(18)7-12(11)17/h2-7H,8,19H2,1H3
InChIKeyOCQREKCTSQSSCB-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
1-[(3-chlorophenyl)methyl]-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-methylurea
CID 60605444

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide (CID 61118192) is 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The InChIKey is OCQREKCTSQSSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-20(8-9-3-2-4-10(16)5-9)15(21)11-6-14(19)13(18)7-12(11)17/h2-7H,8,19H2,1H3.
What are the key properties of 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 61118192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).