4-chloro-N-pentan-3-ylbutanamide

C9H18ClNO — CID 16788679

IUPAC4-chloro-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CCCCl
InChIInChI=1S/C9H18ClNO/c1-3-8(4-2)11-9(12)6-5-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyJCGNFJOTJOWNII-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.31
Rot. Bonds6

About 4-chloro-N-pentan-3-ylbutanamide

4-chloro-N-pentan-3-ylbutanamide (PubChem CID 16788679) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-chloro-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name4-chloro-N-pentan-3-ylbutanamide
PubChem CID16788679
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-chloro-N-pentan-3-ylbutanamide
SMILESCCC(CC)NC(=O)CCCCl
InChIInChI=1S/C9H18ClNO/c1-3-8(4-2)11-9(12)6-5-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyJCGNFJOTJOWNII-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.31
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

3-chloro-N-pentan-3-ylpropanamide
CID 16783824
N-pentan-3-yldocosanamide
CID 123339332
4-chloro-N-octan-4-ylbutanamide
CID 106019308
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-(4-chlorobutanoylamino)-3-methylpentanoic acid
CID 3503073
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
6-formamido-N-pentan-3-ylhexanamide
CID 177031400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentan-3-ylbutanamide?
The IUPAC name of 4-chloro-N-pentan-3-ylbutanamide (CID 16788679) is 4-chloro-N-pentan-3-ylbutanamide.
What is the SMILES notation for 4-chloro-N-pentan-3-ylbutanamide?
The canonical SMILES for 4-chloro-N-pentan-3-ylbutanamide is CCC(CC)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-pentan-3-ylbutanamide?
The InChIKey is JCGNFJOTJOWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-3-8(4-2)11-9(12)6-5-7-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-chloro-N-pentan-3-ylbutanamide?
4-chloro-N-pentan-3-ylbutanamide has a molecular weight of 191.70 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentan-3-ylbutanamide is sourced from PubChem (CID 16788679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).