1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide

C21H24ClNO2 — CID 55567582

IUPAC1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c1-16(17-7-3-2-4-8-17)25-14-6-13-23-20(24)21(11-12-21)18-9-5-10-19(22)15-18/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,23,24)
InChIKeyBMUYMLQNDWJEJK-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.66
Rot. Bonds8

About 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 55567582) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID55567582
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(OCCCNC(=O)C1(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c1-16(17-7-3-2-4-8-17)25-14-6-13-23-20(24)21(11-12-21)18-9-5-10-19(22)15-18/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,23,24)
InChIKeyBMUYMLQNDWJEJK-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-N-[3-(1-phenylethoxy)propyl]cyclopentane-1-carboxamide
CID 110907153
1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
CID 74541947
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide (CID 55567582) is 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide is CC(OCCCNC(=O)C1(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is BMUYMLQNDWJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-16(17-7-3-2-4-8-17)25-14-6-13-23-20(24)21(11-12-21)18-9-5-10-19(22)15-18/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,23,24).
What are the key properties of 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55567582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).