N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide

C15H14ClFN2O — CID 81265785

IUPACN-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O/c1-19(9-10-4-2-5-11(18)8-10)15(20)12-6-3-7-13(16)14(12)17/h2-8H,9,18H2,1H3
InChIKeyVKIVNQVZTARUKZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.33
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide

N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide (PubChem CID 81265785) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
PubChem CID81265785
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O/c1-19(9-10-4-2-5-11(18)8-10)15(20)12-6-3-7-13(16)14(12)17/h2-8H,9,18H2,1H3
InChIKeyVKIVNQVZTARUKZ-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.33
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-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide (CID 81265785) is N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide is CN(Cc1cccc(N)c1)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is VKIVNQVZTARUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-19(9-10-4-2-5-11(18)8-10)15(20)12-6-3-7-13(16)14(12)17/h2-8H,9,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide?
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 81265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).