N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide

C16H14ClF2NO2 — CID 27646459

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO2/c17-13-5-1-11(2-6-13)9-10-20-15(21)12-3-7-14(8-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyNOMPEBYOWPBIKG-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide

N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 27646459) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID27646459
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO2/c17-13-5-1-11(2-6-13)9-10-20-15(21)12-3-7-14(8-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyNOMPEBYOWPBIKG-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-(2,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 18267777
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 55396791
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide (CID 27646459) is N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is NOMPEBYOWPBIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-13-5-1-11(2-6-13)9-10-20-15(21)12-3-7-14(8-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide?
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 325.74 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 27646459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).