N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide

C19H23ClN2O2 — CID 54813009

IUPACN-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-4-11-24-16-8-5-7-15(12-16)22-19(23)13-21-18-10-6-9-17(20)14(18)2/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,22,23)
InChIKeyNYNVFJIVZSQIJE-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.88
Rot. Bonds8

About N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide

N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide (PubChem CID 54813009) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
PubChem CID54813009
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-4-11-24-16-8-5-7-15(12-16)22-19(23)13-21-18-10-6-9-17(20)14(18)2/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,22,23)
InChIKeyNYNVFJIVZSQIJE-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-chloro-2-methylphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821866
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
butyl 2-(3-chloro-2-methylanilino)acetate
CID 54917755
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
CID 54815954

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide (CID 54813009) is N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide is CCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The InChIKey is NYNVFJIVZSQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-4-11-24-16-8-5-7-15(12-16)22-19(23)13-21-18-10-6-9-17(20)14(18)2/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,22,23).
What are the key properties of N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide?
N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 54813009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).