2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide

C19H18ClNO3 — CID 2924784

IUPAC2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c20-14-9-7-13(8-10-14)18(22)16-5-1-2-6-17(16)19(23)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,23)
InChIKeyCPSLVEMUAWSLLS-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.48
Rot. Bonds5

About 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide

2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2924784) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2924784
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c20-14-9-7-13(8-10-14)18(22)16-5-1-2-6-17(16)19(23)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,23)
InChIKeyCPSLVEMUAWSLLS-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 2937149
(4-Chlorophenyl)[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 781328
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
N-{2-(4-Chloro-phenyl)-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755116
N-[(4-chlorophenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 20855312
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572103
4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572104
N-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 4336306
N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 2608480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide (CID 2924784) is 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CPSLVEMUAWSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-14-9-7-13(8-10-14)18(22)16-5-1-2-6-17(16)19(23)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,23).
What are the key properties of 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide?
2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 343.81 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2924784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).