4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C18H24ClN3O4 — CID 122074142

IUPAC4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H24ClN3O4/c19-13-3-6-16(22-7-9-26-10-8-22)15(11-13)21-18(25)20-14-4-1-12(2-5-14)17(23)24/h3,6,11-12,14H,1-2,4-5,7-10H2,(H,23,24)(H2,20,21,25)
InChIKeyLAPPWWHXIUWXMY-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.94
Rot. Bonds4

About 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122074142) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122074142
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H24ClN3O4/c19-13-3-6-16(22-7-9-26-10-8-22)15(11-13)21-18(25)20-14-4-1-12(2-5-14)17(23)24/h3,6,11-12,14H,1-2,4-5,7-10H2,(H,23,24)(H2,20,21,25)
InChIKeyLAPPWWHXIUWXMY-UHFFFAOYSA-N
XLogP2.94
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 112824885
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
CID 122034245
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122074142) is 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1N1CCOCC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LAPPWWHXIUWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c19-13-3-6-16(22-7-9-26-10-8-22)15(11-13)21-18(25)20-14-4-1-12(2-5-14)17(23)24/h3,6,11-12,14H,1-2,4-5,7-10H2,(H,23,24)(H2,20,21,25).
What are the key properties of 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 381.86 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122074142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).