1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide

C15H20BrNO2 — CID 110887443

IUPAC1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CO)NC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11(10-18)17-14(19)15(7-2-3-8-15)12-5-4-6-13(16)9-12/h4-6,9,11,18H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyDSJRKYMWKGCRPQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide

1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 110887443) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
PubChem CID110887443
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CO)NC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11(10-18)17-14(19)15(7-2-3-8-15)12-5-4-6-13(16)9-12/h4-6,9,11,18H,2-3,7-8,10H2,1H3,(H,17,19)
InChIKeyDSJRKYMWKGCRPQ-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-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-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
CID 112818275
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 78847234
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide (CID 110887443) is 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide is CC(CO)NC(=O)C1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is DSJRKYMWKGCRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11(10-18)17-14(19)15(7-2-3-8-15)12-5-4-6-13(16)9-12/h4-6,9,11,18H,2-3,7-8,10H2,1H3,(H,17,19).
What are the key properties of 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 110887443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).