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

C20H25ClN2O3 — CID 54819290

IUPAC2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-14(2)10-11-26-17-7-4-15(5-8-17)23-20(24)13-22-16-6-9-19(25-3)18(21)12-16/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyVCLXUHXAFPOHBU-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.82
Rot. Bonds9

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

2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54819290) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54819290
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-14(2)10-11-26-17-7-4-15(5-8-17)23-20(24)13-22-16-6-9-19(25-3)18(21)12-16/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyVCLXUHXAFPOHBU-UHFFFAOYSA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54819290) is 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is COc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is VCLXUHXAFPOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14(2)10-11-26-17-7-4-15(5-8-17)23-20(24)13-22-16-6-9-19(25-3)18(21)12-16/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 376.88 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54819290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).