6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C24H27ClN2O3 — CID 55921289

IUPAC6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1)C1CCCCC1
InChIInChI=1S/C24H27ClN2O3/c1-27(21-5-3-2-4-6-21)24(29)16-7-10-20(11-8-16)26-23(28)18-13-17-14-19(25)9-12-22(17)30-15-18/h7-12,14,18,21H,2-6,13,15H2,1H3,(H,26,28)
InChIKeyKECRFFPLODUIOX-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.93
Rot. Bonds4

About 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55921289) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55921289
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1)C1CCCCC1
InChIInChI=1S/C24H27ClN2O3/c1-27(21-5-3-2-4-6-21)24(29)16-7-10-20(11-8-16)26-23(28)18-13-17-14-19(25)9-12-22(17)30-15-18/h7-12,14,18,21H,2-6,13,15H2,1H3,(H,26,28)
InChIKeyKECRFFPLODUIOX-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(3S)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924917
(3R)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924915
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496367
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441288
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55921289) is 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(C(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1)C1CCCCC1.
What is the InChIKey of 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KECRFFPLODUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-27(21-5-3-2-4-6-21)24(29)16-7-10-20(11-8-16)26-23(28)18-13-17-14-19(25)9-12-22(17)30-15-18/h7-12,14,18,21H,2-6,13,15H2,1H3,(H,26,28).
What are the key properties of 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 426.94 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55921289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).