4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C15H13Cl2FN2O — CID 82781126

IUPAC4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-20(8-9-2-4-11(18)5-3-9)15(21)10-6-12(16)14(19)13(17)7-10/h2-7H,8,19H2,1H3
InChIKeyWWMWRFPTVDPPAX-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.99
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 82781126) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID82781126
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-20(8-9-2-4-11(18)5-3-9)15(21)10-6-12(16)14(19)13(17)7-10/h2-7H,8,19H2,1H3
InChIKeyWWMWRFPTVDPPAX-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-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 82781126) is 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is WWMWRFPTVDPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-20(8-9-2-4-11(18)5-3-9)15(21)10-6-12(16)14(19)13(17)7-10/h2-7H,8,19H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-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 4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 82781126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).