N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

C19H23ClN2O2 — CID 54825073

IUPACN-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-16-7-5-6-15(12-16)21-13-19(23)22-18-9-4-3-8-17(18)20/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyIKLLLWILFNYHPJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.82
Rot. Bonds8

About N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54825073) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54825073
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-16-7-5-6-15(12-16)21-13-19(23)22-18-9-4-3-8-17(18)20/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyIKLLLWILFNYHPJ-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

2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
N'-(2-chlorophenyl)-N-[3-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54806534
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54825073) is N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is CC(C)CCOc1cccc(NCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is IKLLLWILFNYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(2)10-11-24-16-7-5-6-15(12-16)21-13-19(23)22-18-9-4-3-8-17(18)20/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]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 N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54825073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).