1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide

C16H22ClNO2 — CID 11543898

IUPAC1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)C[C@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-11(2)9-14(10-19)18-15(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14,19H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySCLZMPSRNDBNPC-CQSZACIVSA-N
MW295.81 g/mol
LogP2.89
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide (PubChem CID 11543898) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
PubChem CID11543898
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)C[C@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-11(2)9-14(10-19)18-15(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14,19H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySCLZMPSRNDBNPC-CQSZACIVSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-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

N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 72994043
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
CID 136531933
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide
CID 154764723

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide (CID 11543898) is 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide is CC(C)C[C@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is SCLZMPSRNDBNPC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)9-14(10-19)18-15(20)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14,19H,7-10H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11543898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).