N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide

C12H16ClNO2 — CID 115364515

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
SMILESCC(C)(CCl)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C12H16ClNO2/c1-12(2,7-13)8-14-11(16)9-4-3-5-10(15)6-9/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyFAABZBWOCXMVDA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.39
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide

N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide (PubChem CID 115364515) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
PubChem CID115364515
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
SMILESCC(C)(CCl)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C12H16ClNO2/c1-12(2,7-13)8-14-11(16)9-4-3-5-10(15)6-9/h3-6,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyFAABZBWOCXMVDA-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
N-(3-chloro-2,2-dimethylpropyl)-3,4-dihydroxybenzamide
CID 107729054
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-ethyl-3-hydroxybenzamide
CID 13175248
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
N-(3-amino-2,2-difluoropropyl)-3-hydroxybenzamide
CID 114383539
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide (CID 115364515) is N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide is CC(C)(CCl)CNC(=O)c1cccc(O)c1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide?
The InChIKey is FAABZBWOCXMVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,7-13)8-14-11(16)9-4-3-5-10(15)6-9/h3-6,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide?
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide is sourced from PubChem (CID 115364515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).