4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide

C22H27ClN2O2 — CID 164622087

IUPAC4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccnc2OC)CC1
InChIInChI=1S/C22H27ClN2O2/c1-3-20(25-21(26)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-5-4-14-24-22(19)27-2/h4-5,10-16,20H,3,6-9H2,1-2H3,(H,25,26)/t15?,16?,20-/m1/s1
InChIKeyCMBNPCPHXVBZEC-ALLBUHFWSA-N
MW386.92 g/mol
LogP5.23
Rot. Bonds6

About 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide (PubChem CID 164622087) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
PubChem CID164622087
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccnc2OC)CC1
InChIInChI=1S/C22H27ClN2O2/c1-3-20(25-21(26)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-5-4-14-24-22(19)27-2/h4-5,10-16,20H,3,6-9H2,1-2H3,(H,25,26)/t15?,16?,20-/m1/s1
InChIKeyCMBNPCPHXVBZEC-ALLBUHFWSA-N
XLogP5.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide with MolForge

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Related Compounds

N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
CID 146470875
(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372714
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
6-methoxy-N-[(1R)-1-[4-(4-methyl-2-pyridinyl)cyclohexyl]propyl]pyridine-3-carboxamide
CID 146482219
N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
CID 146470851
methyl (2S)-2-[(1S,5R)-6-[(1S)-1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-2-phenylacetate
CID 153288998
4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
CID 121318779
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
CID 146470863
(2,4-dimethyl-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372752
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
CID 55857815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide (CID 164622087) is 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccnc2OC)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide?
The InChIKey is CMBNPCPHXVBZEC-ALLBUHFWSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-3-20(25-21(26)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-5-4-14-24-22(19)27-2/h4-5,10-16,20H,3,6-9H2,1-2H3,(H,25,26)/t15?,16?,20-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide has a molecular weight of 386.92 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164622087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).