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

C20H23ClN4O3 — CID 46889056

IUPAC4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN4O3/c21-16-3-7-18(8-4-16)24-20(27)23-17-5-1-15(2-6-17)19(26)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,26)(H2,23,24,27)
InChIKeyAOOCBUVEVHODAI-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.05
Rot. Bonds6

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

4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46889056) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46889056
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN4O3/c21-16-3-7-18(8-4-16)24-20(27)23-17-5-1-15(2-6-17)19(26)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,26)(H2,23,24,27)
InChIKeyAOOCBUVEVHODAI-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 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 46889056) is 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is AOOCBUVEVHODAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c21-16-3-7-18(8-4-16)24-20(27)23-17-5-1-15(2-6-17)19(26)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,26)(H2,23,24,27).
What are the key properties of 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(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 4-[(4-chlorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46889056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).