4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide

C20H22ClN3O3 — CID 17180685

IUPAC4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-11-8-14(21)12-17(18)24-20(26)23-16-9-6-13(7-10-16)19(25)22-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyFQGARHCZLHVFPX-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.66
Rot. Bonds5

About 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide

4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide (PubChem CID 17180685) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
PubChem CID17180685
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-18-11-8-14(21)12-17(18)24-20(26)23-16-9-6-13(7-10-16)19(25)22-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyFQGARHCZLHVFPX-UHFFFAOYSA-N
XLogP4.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea
CID 55678414
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide (CID 17180685) is 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide is COc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide?
The InChIKey is FQGARHCZLHVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-18-11-8-14(21)12-17(18)24-20(26)23-16-9-6-13(7-10-16)19(25)22-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide?
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide is sourced from PubChem (CID 17180685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).