1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide

C23H21ClN2O2 — CID 68924011

IUPAC1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C23H21ClN2O2/c1-28-20-5-3-2-4-17(20)14-16-6-11-21(25-15-16)26-22(27)23(12-13-23)18-7-9-19(24)10-8-18/h2-11,15H,12-14H2,1H3,(H,25,26,27)
InChIKeyIHYDRCJFPPWTMM-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.00
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 68924011) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID68924011
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C23H21ClN2O2/c1-28-20-5-3-2-4-17(20)14-16-6-11-21(25-15-16)26-22(27)23(12-13-23)18-7-9-19(24)10-8-18/h2-11,15H,12-14H2,1H3,(H,25,26,27)
InChIKeyIHYDRCJFPPWTMM-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668
1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
CID 110464732
N-[4-formyl-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 88927667
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
N-[5-(2-methoxybenzoyl)-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158760660
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 68924011) is 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is COc1ccccc1Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is IHYDRCJFPPWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-28-20-5-3-2-4-17(20)14-16-6-11-21(25-15-16)26-22(27)23(12-13-23)18-7-9-19(24)10-8-18/h2-11,15H,12-14H2,1H3,(H,25,26,27).
What are the key properties of 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68924011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).