3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C19H19ClN2O3 — CID 2925445

IUPAC3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-4-1-3-14(11-15)19(24)22-16-8-6-13(7-9-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)
InChIKeyCMTOZGSQHBHSNH-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.50
Rot. Bonds5

About 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 2925445) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID2925445
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-4-1-3-14(11-15)19(24)22-16-8-6-13(7-9-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)
InChIKeyCMTOZGSQHBHSNH-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
3-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11517577
N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
2,5-dichloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979196
3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948274
2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2974799
3-benzamido-N-(oxolan-2-ylmethyl)benzamide
CID 3747400
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671
Ethyl 4-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}phenylcarbamate
CID 3237182
N-(4-{[(3-isopropoxypropyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3244061
N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3244920

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 2925445) is 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCC1CCCO1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is CMTOZGSQHBHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-4-1-3-14(11-15)19(24)22-16-8-6-13(7-9-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2925445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).