3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

C15H14ClFN2O — CID 28801952

IUPAC3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClFN2O/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-13(16)14(18)8-11/h2-8H,9,18H2,1H3
InChIKeyWWRUNTPPMSFVFJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.33
Rot. Bonds3

About 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 28801952) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID28801952
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClFN2O/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-13(16)14(18)8-11/h2-8H,9,18H2,1H3
InChIKeyWWRUNTPPMSFVFJ-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-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (CID 28801952) is 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is WWRUNTPPMSFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-19(9-10-3-2-4-12(17)7-10)15(20)11-5-6-13(16)14(18)8-11/h2-8H,9,18H2,1H3.
What are the key properties of 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-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 3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 28801952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).