5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide

C16H16ClFN2O — CID 103296048

IUPAC5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)Cc2cccc(Cl)c2)c1F
InChIInChI=1S/C16H16ClFN2O/c1-10-6-13(19)8-14(15(10)18)16(21)20(2)9-11-4-3-5-12(17)7-11/h3-8H,9,19H2,1-2H3
InChIKeyVANFSKGIBBEJIW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.64
Rot. Bonds3

About 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide

5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide (PubChem CID 103296048) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
PubChem CID103296048
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)Cc2cccc(Cl)c2)c1F
InChIInChI=1S/C16H16ClFN2O/c1-10-6-13(19)8-14(15(10)18)16(21)20(2)9-11-4-3-5-12(17)7-11/h3-8H,9,19H2,1-2H3
InChIKeyVANFSKGIBBEJIW-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.64
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

5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide (CID 103296048) is 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)Cc2cccc(Cl)c2)c1F.
What is the InChIKey of 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is VANFSKGIBBEJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-6-13(19)8-14(15(10)18)16(21)20(2)9-11-4-3-5-12(17)7-11/h3-8H,9,19H2,1-2H3.
What are the key properties of 5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide?
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.64, 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-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 103296048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).