N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide

C16H14ClF2NO — CID 114300048

IUPACN-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)NC(CCl)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c17-10-15(11-4-2-1-3-5-11)20-16(21)8-12-6-7-13(18)9-14(12)19/h1-7,9,15H,8,10H2,(H,20,21)
InChIKeyKOCUPTONTVWGBN-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.60
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide

N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide (PubChem CID 114300048) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
PubChem CID114300048
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)NC(CCl)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c17-10-15(11-4-2-1-3-5-11)20-16(21)8-12-6-7-13(18)9-14(12)19/h1-7,9,15H,8,10H2,(H,20,21)
InChIKeyKOCUPTONTVWGBN-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212527
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
CID 110004284
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide (CID 114300048) is N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)cc1F)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide?
The InChIKey is KOCUPTONTVWGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c17-10-15(11-4-2-1-3-5-11)20-16(21)8-12-6-7-13(18)9-14(12)19/h1-7,9,15H,8,10H2,(H,20,21).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide?
N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide has a molecular weight of 309.74 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 114300048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).