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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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).