N-(5-chloro-2-ethoxyphenyl)butanamide

C12H16ClNO2 — CID 61062519

IUPACN-(5-chloro-2-ethoxyphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1OCC
InChIInChI=1S/C12H16ClNO2/c1-3-5-12(15)14-10-8-9(13)6-7-11(10)16-4-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWTIDDAVZUJCIP-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.48
Rot. Bonds5

About N-(5-chloro-2-ethoxyphenyl)butanamide

N-(5-chloro-2-ethoxyphenyl)butanamide (PubChem CID 61062519) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)butanamide
PubChem CID61062519
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(5-chloro-2-ethoxyphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1OCC
InChIInChI=1S/C12H16ClNO2/c1-3-5-12(15)14-10-8-9(13)6-7-11(10)16-4-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWTIDDAVZUJCIP-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)butanamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)butanamide (CID 61062519) is N-(5-chloro-2-ethoxyphenyl)butanamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)butanamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)butanamide is CCCC(=O)Nc1cc(Cl)ccc1OCC.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)butanamide?
The InChIKey is OWTIDDAVZUJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-5-12(15)14-10-8-9(13)6-7-11(10)16-4-2/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)butanamide?
N-(5-chloro-2-ethoxyphenyl)butanamide has a molecular weight of 241.72 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)butanamide is sourced from PubChem (CID 61062519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).