2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide

C17H18ClNO2 — CID 17074225

IUPAC2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyAIBWSDVHBZAITF-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.63
Rot. Bonds5

About 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide

2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17074225) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
PubChem CID17074225
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyAIBWSDVHBZAITF-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54812960
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4945586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide (CID 17074225) is 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1ccccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is AIBWSDVHBZAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide?
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17074225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).