N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide

C19H22Cl2N2O2 — CID 54821699

IUPACN-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-13(2)7-8-25-18-5-3-16(4-6-18)22-12-19(24)23-17-10-14(20)9-15(21)11-17/h3-6,9-11,13,22H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyHZCRAASKGUTSSH-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.47
Rot. Bonds8

About N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide

N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide (PubChem CID 54821699) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
PubChem CID54821699
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-13(2)7-8-25-18-5-3-16(4-6-18)22-12-19(24)23-17-10-14(20)9-15(21)11-17/h3-6,9-11,13,22H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyHZCRAASKGUTSSH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
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
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide (CID 54821699) is N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide is CC(C)CCOc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The InChIKey is HZCRAASKGUTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-13(2)7-8-25-18-5-3-16(4-6-18)22-12-19(24)23-17-10-14(20)9-15(21)11-17/h3-6,9-11,13,22H,7-8,12H2,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]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 N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54821699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).