5-chloro-N-(2-propoxyphenyl)pentanamide

C14H20ClNO2 — CID 43697480

IUPAC5-chloro-N-(2-propoxyphenyl)pentanamide
SMILESCCCOc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C14H20ClNO2/c1-2-11-18-13-8-4-3-7-12(13)16-14(17)9-5-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyOQRGKZNNACDELC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.82
Rot. Bonds8

About 5-chloro-N-(2-propoxyphenyl)pentanamide

5-chloro-N-(2-propoxyphenyl)pentanamide (PubChem CID 43697480) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-N-(2-propoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-propoxyphenyl)pentanamide
PubChem CID43697480
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N-(2-propoxyphenyl)pentanamide
SMILESCCCOc1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C14H20ClNO2/c1-2-11-18-13-8-4-3-7-12(13)16-14(17)9-5-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyOQRGKZNNACDELC-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N-(2-butoxyphenyl)propanamide
CID 15943029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propoxyphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-propoxyphenyl)pentanamide (CID 43697480) is 5-chloro-N-(2-propoxyphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-propoxyphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-propoxyphenyl)pentanamide is CCCOc1ccccc1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-propoxyphenyl)pentanamide?
The InChIKey is OQRGKZNNACDELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-11-18-13-8-4-3-7-12(13)16-14(17)9-5-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-propoxyphenyl)pentanamide?
5-chloro-N-(2-propoxyphenyl)pentanamide has a molecular weight of 269.77 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propoxyphenyl)pentanamide is sourced from PubChem (CID 43697480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).