N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide

C19H14ClNO2S — CID 9401366

IUPACN-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C19H14ClNO2S/c20-16-9-4-1-6-13(16)12-21-19(23)15-8-3-2-7-14(15)18(22)17-10-5-11-24-17/h1-11H,12H2,(H,21,23)
InChIKeyCESPKIAXGBHQIO-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.56
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide

N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 9401366) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID9401366
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C19H14ClNO2S/c20-16-9-4-1-6-13(16)12-21-19(23)15-8-3-2-7-14(15)18(22)17-10-5-11-24-17/h1-11H,12H2,(H,21,23)
InChIKeyCESPKIAXGBHQIO-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[2-(ethylamino)ethyl]-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119508490
2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 39948631
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55972154
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide (CID 9401366) is N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide is O=C(NCc1ccccc1Cl)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is CESPKIAXGBHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c20-16-9-4-1-6-13(16)12-21-19(23)15-8-3-2-7-14(15)18(22)17-10-5-11-24-17/h1-11H,12H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 355.85 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 9401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).