2-(3-chloropropyl)benzamide

C10H12ClNO — CID 135741565

IUPAC2-(3-chloropropyl)benzamide
SMILESNC(=O)c1ccccc1CCCCl
InChIInChI=1S/C10H12ClNO/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H2,12,13)
InChIKeyNLNSFXFBWHZGLM-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.96
Rot. Bonds4

About 2-(3-chloropropyl)benzamide

2-(3-chloropropyl)benzamide (PubChem CID 135741565) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(3-chloropropyl)benzamide.

Molecular Properties

Compound Name2-(3-chloropropyl)benzamide
PubChem CID135741565
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(3-chloropropyl)benzamide
SMILESNC(=O)c1ccccc1CCCCl
InChIInChI=1S/C10H12ClNO/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H2,12,13)
InChIKeyNLNSFXFBWHZGLM-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butylbenzamide
CID 15468173
2-octylbenzamide
CID 11148995
2-(3-pyridin-2-ylpropyl)benzamide
CID 173328031
2-(2-phenoxyethyl)benzamide
CID 68945309
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-(4-aminooctyl)benzamide
CID 57359484
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
2-[4-(1,3-oxazol-2-yl)-4-oxobutyl]benzamide
CID 173193026
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
2-[2-(ethylamino)ethyl]benzamide
CID 70462261

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)benzamide?
The IUPAC name of 2-(3-chloropropyl)benzamide (CID 135741565) is 2-(3-chloropropyl)benzamide.
What is the SMILES notation for 2-(3-chloropropyl)benzamide?
The canonical SMILES for 2-(3-chloropropyl)benzamide is NC(=O)c1ccccc1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)benzamide?
The InChIKey is NLNSFXFBWHZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H2,12,13).
What are the key properties of 2-(3-chloropropyl)benzamide?
2-(3-chloropropyl)benzamide has a molecular weight of 197.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)benzamide is sourced from PubChem (CID 135741565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).