1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide

C24H24ClNO2 — CID 100782430

IUPAC1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H24ClNO2/c1-16(2)15-28-22-12-11-21(19-5-3-4-6-20(19)22)26-23(27)24(13-14-24)17-7-9-18(25)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,26,27)
InChIKeyPNGDYQCMEQWZFQ-UHFFFAOYSA-N
MW393.91 g/mol
LogP6.20
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide (PubChem CID 100782430) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
PubChem CID100782430
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C24H24ClNO2/c1-16(2)15-28-22-12-11-21(19-5-3-4-6-20(19)22)26-23(27)24(13-14-24)17-7-9-18(25)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,26,27)
InChIKeyPNGDYQCMEQWZFQ-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
2-(4-chlorophenyl)-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dihydroindene-2-carboxamide
CID 100781562
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
CID 100778906
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide (CID 100782430) is 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide is CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide?
The InChIKey is PNGDYQCMEQWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-16(2)15-28-22-12-11-21(19-5-3-4-6-20(19)22)26-23(27)24(13-14-24)17-7-9-18(25)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,26,27).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide has a molecular weight of 393.91 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100782430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).