N-(1-chloropentyl)benzamide

C12H16ClNO — CID 154358932

IUPACN-(1-chloropentyl)benzamide
SMILESCCCCC(Cl)NC(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-2-3-9-11(13)14-12(15)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,15)
InChIKeyZLMHKMAYYASMMP-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.17
Rot. Bonds5

About N-(1-chloropentyl)benzamide

N-(1-chloropentyl)benzamide (PubChem CID 154358932) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(1-chloropentyl)benzamide.

Molecular Properties

Compound NameN-(1-chloropentyl)benzamide
PubChem CID154358932
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(1-chloropentyl)benzamide
SMILESCCCCC(Cl)NC(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-2-3-9-11(13)14-12(15)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,15)
InChIKeyZLMHKMAYYASMMP-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-nitropropyl)benzamide
CID 174969521
(2S)-2-benzamidopropanoate;tetrabutylphosphanium
CID 68742086
N-(1-diethoxysilylpentyl)benzamide
CID 173241563
3-chloro-1-phenylheptan-1-one
CID 11775823
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
N-[2-(chloromethyl)hexyl]benzamide
CID 158045378
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
N-(2-phenylhexyl)benzamide
CID 59942443
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropentyl)benzamide?
The IUPAC name of N-(1-chloropentyl)benzamide (CID 154358932) is N-(1-chloropentyl)benzamide.
What is the SMILES notation for N-(1-chloropentyl)benzamide?
The canonical SMILES for N-(1-chloropentyl)benzamide is CCCCC(Cl)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-chloropentyl)benzamide?
The InChIKey is ZLMHKMAYYASMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-9-11(13)14-12(15)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,15).
What are the key properties of N-(1-chloropentyl)benzamide?
N-(1-chloropentyl)benzamide has a molecular weight of 225.72 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropentyl)benzamide is sourced from PubChem (CID 154358932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).