4-chloro-N-(3-phenylbutyl)butanamide

C14H20ClNO — CID 63308144

IUPAC4-chloro-N-(3-phenylbutyl)butanamide
SMILESCC(CCNC(=O)CCCCl)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-12(13-6-3-2-4-7-13)9-11-16-14(17)8-5-10-15/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17)
InChIKeyBXBOKKZLKOJZSG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.32
Rot. Bonds7

About 4-chloro-N-(3-phenylbutyl)butanamide

4-chloro-N-(3-phenylbutyl)butanamide (PubChem CID 63308144) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-chloro-N-(3-phenylbutyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-phenylbutyl)butanamide
PubChem CID63308144
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-chloro-N-(3-phenylbutyl)butanamide
SMILESCC(CCNC(=O)CCCCl)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-12(13-6-3-2-4-7-13)9-11-16-14(17)8-5-10-15/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17)
InChIKeyBXBOKKZLKOJZSG-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.32
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

5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
5-chloropentan-2-ylbenzene
CID 524354
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2,2,2-trifluoroethyl N-[3-oxo-3-[[(3R)-3-phenylbutyl]amino]propyl]carbamate
CID 95287422
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-phenylbutyl)butanamide?
The IUPAC name of 4-chloro-N-(3-phenylbutyl)butanamide (CID 63308144) is 4-chloro-N-(3-phenylbutyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-phenylbutyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-phenylbutyl)butanamide is CC(CCNC(=O)CCCCl)c1ccccc1.
What is the InChIKey of 4-chloro-N-(3-phenylbutyl)butanamide?
The InChIKey is BXBOKKZLKOJZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12(13-6-3-2-4-7-13)9-11-16-14(17)8-5-10-15/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(3-phenylbutyl)butanamide?
4-chloro-N-(3-phenylbutyl)butanamide has a molecular weight of 253.77 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-phenylbutyl)butanamide is sourced from PubChem (CID 63308144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).