4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

C19H14F3NO2S — CID 43021916

IUPAC4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F3NO2S/c20-14-7-3-12(4-8-14)17(16-2-1-11-26-16)23-18(24)13-5-9-15(10-6-13)25-19(21)22/h1-11,17,19H,(H,23,24)
InChIKeyIKRBVQDTCZZJNZ-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.01
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 43021916) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID43021916
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F3NO2S/c20-14-7-3-12(4-8-14)17(16-2-1-11-26-16)23-18(24)13-5-9-15(10-6-13)25-19(21)22/h1-11,17,19H,(H,23,24)
InChIKeyIKRBVQDTCZZJNZ-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 46613600
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
CID 41441488
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
4-amino-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 41263224
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (CID 43021916) is 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is IKRBVQDTCZZJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-14-7-3-12(4-8-14)17(16-2-1-11-26-16)23-18(24)13-5-9-15(10-6-13)25-19(21)22/h1-11,17,19H,(H,23,24).
What are the key properties of 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 377.39 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 43021916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).