N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide

C15H13ClF2N2O — CID 109008626

IUPACN-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-6-10(16)2-5-14(9)20-15(21)8-19-11-3-4-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyMOCDZWDCTAJMII-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.98
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide

N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide (PubChem CID 109008626) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
PubChem CID109008626
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-6-10(16)2-5-14(9)20-15(21)8-19-11-3-4-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyMOCDZWDCTAJMII-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide (CID 109008626) is N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide is Cc1cc(Cl)ccc1NC(=O)CNc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide?
The InChIKey is MOCDZWDCTAJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-9-6-10(16)2-5-14(9)20-15(21)8-19-11-3-4-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide?
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide has a molecular weight of 310.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide is sourced from PubChem (CID 109008626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).