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

C19H22Cl2N2O2 — CID 54811762

IUPAC2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-13(2)8-9-25-16-5-3-4-15(10-16)23-19(24)12-22-14-6-7-17(20)18(21)11-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyMGKVZQUTJWHZJJ-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.47
Rot. Bonds8

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

2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54811762) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
PubChem CID54811762
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-13(2)8-9-25-16-5-3-4-15(10-16)23-19(24)12-22-14-6-7-17(20)18(21)11-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyMGKVZQUTJWHZJJ-UHFFFAOYSA-N
XLogP5.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-(3,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 2330512
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide (CID 54811762) is 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide is CC(C)CCOc1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is MGKVZQUTJWHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-13(2)8-9-25-16-5-3-4-15(10-16)23-19(24)12-22-14-6-7-17(20)18(21)11-14/h3-7,10-11,13,22H,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 381.30 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54811762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).