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

C16H16ClFN2O — CID 108996573

IUPACN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1ccccc1CNCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-11-4-2-3-5-12(11)9-19-10-16(21)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyXGRHSQPZENIBMI-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.52
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide (PubChem CID 108996573) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
PubChem CID108996573
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1ccccc1CNCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-11-4-2-3-5-12(11)9-19-10-16(21)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyXGRHSQPZENIBMI-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-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110625454
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
1-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17378273
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide (CID 108996573) is N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide is Cc1ccccc1CNCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The InChIKey is XGRHSQPZENIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-4-2-3-5-12(11)9-19-10-16(21)20-13-6-7-15(18)14(17)8-13/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)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-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 108996573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).