3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide

C16H14ClNO2 — CID 53221507

IUPAC3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(-c2cc(O)cc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO2/c17-13-7-12(8-15(19)9-13)10-2-1-3-11(6-10)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5H2,(H,18,20)
InChIKeySIZFXTCIMPIFKK-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide

3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide (PubChem CID 53221507) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide
PubChem CID53221507
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(-c2cc(O)cc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO2/c17-13-7-12(8-15(19)9-13)10-2-1-3-11(6-10)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5H2,(H,18,20)
InChIKeySIZFXTCIMPIFKK-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53221465
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-cyclopropyl-3-(4-oxo-1H-pyridin-2-yl)benzamide
CID 53229603
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846
N-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 53218141
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide?
The IUPAC name of 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide (CID 53221507) is 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide.
What is the SMILES notation for 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide?
The canonical SMILES for 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(-c2cc(O)cc(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide?
The InChIKey is SIZFXTCIMPIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-7-12(8-15(19)9-13)10-2-1-3-11(6-10)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5H2,(H,18,20).
What are the key properties of 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide?
3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide has a molecular weight of 287.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-hydroxyphenyl)-N-cyclopropylbenzamide is sourced from PubChem (CID 53221507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).