1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide

C20H18Cl2F2N2O2 — CID 60594428

IUPAC1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCC(C(=O)Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C20H18Cl2F2N2O2/c21-13-4-6-17(15(23)9-13)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(22)10-16(18)24/h4-7,9-12H,1-3,8H2,(H,25,27)(H,26,28)
InChIKeyDCWAEUOQIHWFRT-UHFFFAOYSA-N
MW427.28 g/mol
LogP5.66
Rot. Bonds4

About 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide

1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide (PubChem CID 60594428) has the molecular formula C20H18Cl2F2N2O2 and a molecular weight of 427.28 g/mol. Its IUPAC name is 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
PubChem CID60594428
Molecular FormulaC20H18Cl2F2N2O2
Molecular Weight427.28 g/mol
Exact Mass426.07
IUPAC Name1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCC(C(=O)Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C20H18Cl2F2N2O2/c21-13-4-6-17(15(23)9-13)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(22)10-16(18)24/h4-7,9-12H,1-3,8H2,(H,25,27)(H,26,28)
InChIKeyDCWAEUOQIHWFRT-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.28
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
(1S,2R,3R,4S)-3-[(4-chloro-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124723119
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide (CID 60594428) is 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide is O=C(Nc1ccc(Cl)cc1F)C1CCCC(C(=O)Nc2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is DCWAEUOQIHWFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F2N2O2/c21-13-4-6-17(15(23)9-13)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(22)10-16(18)24/h4-7,9-12H,1-3,8H2,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide?
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 427.28 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 60594428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).