2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C17H18ClFN2O — CID 29451919

IUPAC2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CNc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C17H18ClFN2O/c1-11-8-13(6-7-15(11)19)9-21-17(22)10-20-16-5-3-4-14(18)12(16)2/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCJZYKEOQHVIFLJ-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 29451919) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID29451919
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CNc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C17H18ClFN2O/c1-11-8-13(6-7-15(11)19)9-21-17(22)10-20-16-5-3-4-14(18)12(16)2/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCJZYKEOQHVIFLJ-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
3-[[[2-(3-chloro-2-methylanilino)acetyl]amino]methyl]-4-fluorobenzoic acid
CID 143624740
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
CID 26416416
3-chloro-N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 29304330

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 29451919) is 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is Cc1cc(CNC(=O)CNc2cccc(Cl)c2C)ccc1F.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is CJZYKEOQHVIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11-8-13(6-7-15(11)19)9-21-17(22)10-20-16-5-3-4-14(18)12(16)2/h3-8,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 320.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 29451919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).