2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

C19H23ClN2O2 — CID 54809291

IUPAC2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-18-8-6-16(7-9-18)22-19(23)13-21-17-5-3-4-15(20)12-17/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyGKONQWDJCJISDF-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.82
Rot. Bonds8

About 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54809291) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54809291
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-18-8-6-16(7-9-18)22-19(23)13-21-17-5-3-4-15(20)12-17/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyGKONQWDJCJISDF-UHFFFAOYSA-N
XLogP4.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54809291) is 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is CC(C)CCOc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is GKONQWDJCJISDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-18-8-6-16(7-9-18)22-19(23)13-21-17-5-3-4-15(20)12-17/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54809291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).