4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide

C18H14ClNOS — CID 8820635

IUPAC4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNOS/c19-15-10-8-14(9-11-15)18(21)20-17(16-7-4-12-22-16)13-5-2-1-3-6-13/h1-12,17H,(H,20,21)/t17-/m1/s1
InChIKeyFXNPIMSCBWMXBU-QGZVFWFLSA-N
MW327.84 g/mol
LogP4.92
Rot. Bonds4

About 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide

4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8820635) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8820635
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC Name4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNOS/c19-15-10-8-14(9-11-15)18(21)20-17(16-7-4-12-22-16)13-5-2-1-3-6-13/h1-12,17H,(H,20,21)/t17-/m1/s1
InChIKeyFXNPIMSCBWMXBU-QGZVFWFLSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 46829010
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8820635) is 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide is O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is FXNPIMSCBWMXBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-15-10-8-14(9-11-15)18(21)20-17(16-7-4-12-22-16)13-5-2-1-3-6-13/h1-12,17H,(H,20,21)/t17-/m1/s1.
What are the key properties of 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 327.84 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8820635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).