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

C23H26ClNO2 — CID 55550870

IUPAC2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C(C)C2CC2)cc1
InChIInChI=1S/C23H26ClNO2/c1-15(17-9-10-17)25(14-16-7-11-18(27-2)12-8-16)23(26)21-13-20(21)19-5-3-4-6-22(19)24/h3-8,11-12,15,17,20-21H,9-10,13-14H2,1-2H3
InChIKeyDOHABJLYGQREJB-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.28
Rot. Bonds7

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

2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 55550870) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID55550870
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C(C)C2CC2)cc1
InChIInChI=1S/C23H26ClNO2/c1-15(17-9-10-17)25(14-16-7-11-18(27-2)12-8-16)23(26)21-13-20(21)19-5-3-4-6-22(19)24/h3-8,11-12,15,17,20-21H,9-10,13-14H2,1-2H3
InChIKeyDOHABJLYGQREJB-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 55588882
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55504888
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55551073
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 55550870) is 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CN(C(=O)C2CC2c2ccccc2Cl)C(C)C2CC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is DOHABJLYGQREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO2/c1-15(17-9-10-17)25(14-16-7-11-18(27-2)12-8-16)23(26)21-13-20(21)19-5-3-4-6-22(19)24/h3-8,11-12,15,17,20-21H,9-10,13-14H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55550870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).