2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide

C15H13ClFNO — CID 47161047

IUPAC2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cccc(F)c1
InChIInChI=1S/C15H13ClFNO/c16-13-6-4-11(5-7-13)9-15(19)18-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H,18,19)
InChIKeyNAPNAABLDHQHDU-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 47161047) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID47161047
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cccc(F)c1
InChIInChI=1S/C15H13ClFNO/c16-13-6-4-11(5-7-13)9-15(19)18-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H,18,19)
InChIKeyNAPNAABLDHQHDU-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-[(3-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309839
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide (CID 47161047) is 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is NAPNAABLDHQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-6-4-11(5-7-13)9-15(19)18-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 277.73 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 47161047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).