2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide

C20H24ClN3O2 — CID 12500967

IUPAC2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOGZUTFMVCOUTPK-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.66
Rot. Bonds8

About 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide

2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide (PubChem CID 12500967) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
PubChem CID12500967
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOGZUTFMVCOUTPK-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 17229720
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide (CID 12500967) is 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide?
The InChIKey is OGZUTFMVCOUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide?
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 12500967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).