3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

C20H23ClN4O3 — CID 46888846

IUPAC3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H23ClN4O3/c21-16-4-6-17(7-5-16)23-20(27)24-18-3-1-2-15(14-18)19(26)22-8-9-25-10-12-28-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H2,23,24,27)
InChIKeyIBCWSEGWQPUBDM-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.05
Rot. Bonds6

About 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46888846) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46888846
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C20H23ClN4O3/c21-16-4-6-17(7-5-16)23-20(27)24-18-3-1-2-15(14-18)19(26)22-8-9-25-10-12-28-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H2,23,24,27)
InChIKeyIBCWSEGWQPUBDM-UHFFFAOYSA-N
XLogP3.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212858
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-[2-(3-oxomorpholin-4-yl)ethyl]amino]-3-methylbenzamide
CID 168269266
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 71576802
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzamide
CID 46889057
2-[(anilinocarbonyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812680
N~1~-(4-chlorophenyl)-N~2~-{2-[4-(4-methylbenzoyl)-1-piperazinyl]ethyl}ethanediamide
CID 4020692

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 46888846) is 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IBCWSEGWQPUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c21-16-4-6-17(7-5-16)23-20(27)24-18-3-1-2-15(14-18)19(26)22-8-9-25-10-12-28-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H2,23,24,27).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 402.88 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46888846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).