N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide

C23H24ClFN2O3 — CID 134497831

IUPACN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cccc2c1OCCC2
InChIInChI=1S/C23H24ClFN2O3/c24-19-13-16(25)8-11-20(19)27-22(28)15-6-9-17(10-7-15)26-23(29)18-5-1-3-14-4-2-12-30-21(14)18/h1,3,5,8,11,13,15,17H,2,4,6-7,9-10,12H2,(H,26,29)(H,27,28)
InChIKeyJNBHBIQRKKBSIV-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.73
Rot. Bonds4

About N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide

N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 134497831) has the molecular formula C23H24ClFN2O3 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID134497831
Molecular FormulaC23H24ClFN2O3
Molecular Weight430.91 g/mol
Exact Mass430.15
IUPAC NameN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cccc2c1OCCC2
InChIInChI=1S/C23H24ClFN2O3/c24-19-13-16(25)8-11-20(19)27-22(28)15-6-9-17(10-7-15)26-23(29)18-5-1-3-14-4-2-12-30-21(14)18/h1,3,5,8,11,13,15,17H,2,4,6-7,9-10,12H2,(H,26,29)(H,27,28)
InChIKeyJNBHBIQRKKBSIV-UHFFFAOYSA-N
XLogP4.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
CID 122672310
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672769
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509731
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
N-(2-chloro-4-fluorophenyl)-2-[[2-(cycloheptylamino)-2-oxoethyl]amino]benzamide
CID 55898377
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 97256231

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 134497831) is N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide is O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cccc2c1OCCC2.
What is the InChIKey of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is JNBHBIQRKKBSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O3/c24-19-13-16(25)8-11-20(19)27-22(28)15-6-9-17(10-7-15)26-23(29)18-5-1-3-14-4-2-12-30-21(14)18/h1,3,5,8,11,13,15,17H,2,4,6-7,9-10,12H2,(H,26,29)(H,27,28).
What are the key properties of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide?
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 430.91 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 134497831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).