N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide

C16H23ClN2O3 — CID 113060271

IUPACN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H23ClN2O3/c1-4-5-6-16(21)18-9-10-19(12(2)20)14-11-13(17)7-8-15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyBDGFAFMDGMFLSK-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide

N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide (PubChem CID 113060271) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
PubChem CID113060271
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H23ClN2O3/c1-4-5-6-16(21)18-9-10-19(12(2)20)14-11-13(17)7-8-15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyBDGFAFMDGMFLSK-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide (CID 113060271) is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide?
The InChIKey is BDGFAFMDGMFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-4-5-6-16(21)18-9-10-19(12(2)20)14-11-13(17)7-8-15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide?
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide has a molecular weight of 326.82 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide is sourced from PubChem (CID 113060271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).