1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide

C13H16BrNO2 — CID 78855924

IUPAC1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C13H16BrNO2/c1-9(16)8-15-12(17)13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,17)
InChIKeyQCSRKSMBELNJIU-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.98
Rot. Bonds4

About 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide (PubChem CID 78855924) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
PubChem CID78855924
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C13H16BrNO2/c1-9(16)8-15-12(17)13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,17)
InChIKeyQCSRKSMBELNJIU-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
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-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 134002168
1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
CID 39984612
N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide (CID 78855924) is 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide is CC(O)CNC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
The InChIKey is QCSRKSMBELNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9(16)8-15-12(17)13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,16H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.98, 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-(2-hydroxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78855924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).