2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C16H16ClFN2O2 — CID 26437643

IUPAC2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-19-15-7-4-12(18)8-14(15)17/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyZIQSTNVQQDLRPI-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 26437643) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID26437643
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-19-15-7-4-12(18)8-14(15)17/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyZIQSTNVQQDLRPI-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55437326
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099540

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 26437643) is 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ZIQSTNVQQDLRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-13-5-2-11(3-6-13)9-20-16(21)10-19-15-7-4-12(18)8-14(15)17/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 322.77 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26437643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).