(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide

C24H27ClN2O3 — CID 95091522

IUPAC(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C2)CC1
InChIInChI=1S/C24H27ClN2O3/c1-15-2-8-20(9-3-15)26-24(29)18-12-17-13-21(10-11-22(17)30-14-18)27-23(28)16-4-6-19(25)7-5-16/h4-7,10-11,13,15,18,20H,2-3,8-9,12,14H2,1H3,(H,26,29)(H,27,28)/t15?,18-,20?/m1/s1
InChIKeyIDSXXMVDQRXIOF-RVSXGSNBSA-N
MW426.94 g/mol
LogP4.84
Rot. Bonds4

About (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091522) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091522
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C2)CC1
InChIInChI=1S/C24H27ClN2O3/c1-15-2-8-20(9-3-15)26-24(29)18-12-17-13-21(10-11-22(17)30-14-18)27-23(28)16-4-6-19(25)7-5-16/h4-7,10-11,13,15,18,20H,2-3,8-9,12,14H2,1H3,(H,26,29)(H,27,28)/t15?,18-,20?/m1/s1
InChIKeyIDSXXMVDQRXIOF-RVSXGSNBSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091482
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123408
(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091102
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 165389736

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091522) is (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC1CCC(NC(=O)[C@H]2COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C2)CC1.
What is the InChIKey of (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IDSXXMVDQRXIOF-RVSXGSNBSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-15-2-8-20(9-3-15)26-24(29)18-12-17-13-21(10-11-22(17)30-14-18)27-23(28)16-4-6-19(25)7-5-16/h4-7,10-11,13,15,18,20H,2-3,8-9,12,14H2,1H3,(H,26,29)(H,27,28)/t15?,18-,20?/m1/s1.
What are the key properties of (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 426.94 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).