4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C19H25ClN2O4 — CID 120672558

IUPAC4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C19H25ClN2O4/c1-3-22(4-2)18(24)15-10-9-14(11-16(15)20)21-17(23)12-5-7-13(8-6-12)19(25)26/h9-13H,3-8H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyLKUYXIGAWDEVQD-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.65
Rot. Bonds6

About 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672558) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672558
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C19H25ClN2O4/c1-3-22(4-2)18(24)15-10-9-14(11-16(15)20)21-17(23)12-5-7-13(8-6-12)19(25)26/h9-13H,3-8H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyLKUYXIGAWDEVQD-UHFFFAOYSA-N
XLogP3.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 34746637
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55673090

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672558) is 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CCN(CC)C(=O)c1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1Cl.
What is the InChIKey of 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LKUYXIGAWDEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-3-22(4-2)18(24)15-10-9-14(11-16(15)20)21-17(23)12-5-7-13(8-6-12)19(25)26/h9-13H,3-8H2,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 380.87 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).