N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide

C16H16ClFN2O — CID 108997773

IUPACN-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-11-2-7-14(8-15(11)17)20-16(21)10-19-9-12-3-5-13(18)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyJVZNWTPBHOJXFW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.52
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide (PubChem CID 108997773) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
PubChem CID108997773
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-11-2-7-14(8-15(11)17)20-16(21)10-19-9-12-3-5-13(18)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyJVZNWTPBHOJXFW-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
(2S)-N-(3-chloro-4-methylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730363
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
N-(2,3-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997822
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N-(4-fluorophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066843

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide (CID 108997773) is N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide is Cc1ccc(NC(=O)CNCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide?
The InChIKey is JVZNWTPBHOJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-2-7-14(8-15(11)17)20-16(21)10-19-9-12-3-5-13(18)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 108997773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).