N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

C15H13Cl2FN2O — CID 81453152

IUPACN-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-20(8-9-7-10(19)5-6-12(9)16)15(21)11-3-2-4-13(18)14(11)17/h2-7H,8,19H2,1H3
InChIKeyBEWKWLWQXDQBQR-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.99
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (PubChem CID 81453152) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
PubChem CID81453152
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-20(8-9-7-10(19)5-6-12(9)16)15(21)11-3-2-4-13(18)14(11)17/h2-7H,8,19H2,1H3
InChIKeyBEWKWLWQXDQBQR-UHFFFAOYSA-N
XLogP3.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.99
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-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (CID 81453152) is N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide is CN(Cc1cc(N)ccc1Cl)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The InChIKey is BEWKWLWQXDQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-20(8-9-7-10(19)5-6-12(9)16)15(21)11-3-2-4-13(18)14(11)17/h2-7H,8,19H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 81453152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).