1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide

C20H22ClNO3 — CID 72994043

IUPAC1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NC(CO)COCc1ccccc1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-17-8-6-16(7-9-17)20(10-11-20)19(24)22-18(12-23)14-25-13-15-4-2-1-3-5-15/h1-9,18,23H,10-14H2,(H,22,24)
InChIKeyMLCMNKUIRROHKO-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.07
Rot. Bonds8

About 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 72994043) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
PubChem CID72994043
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NC(CO)COCc1ccccc1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-17-8-6-16(7-9-17)20(10-11-20)19(24)22-18(12-23)14-25-13-15-4-2-1-3-5-15/h1-9,18,23H,10-14H2,(H,22,24)
InChIKeyMLCMNKUIRROHKO-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)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-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-methoxybutanoic acid
CID 103153093
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
CID 136531933
1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
CID 75229165
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide (CID 72994043) is 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide is O=C(NC(CO)COCc1ccccc1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MLCMNKUIRROHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c21-17-8-6-16(7-9-17)20(10-11-20)19(24)22-18(12-23)14-25-13-15-4-2-1-3-5-15/h1-9,18,23H,10-14H2,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 359.85 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72994043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).