N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide

C19H23ClN2O2 — CID 54815838

IUPACN-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O2/c1-4-14(3)24-17-7-5-6-16(10-17)22-19(23)12-21-15-9-8-13(2)18(20)11-15/h5-11,14,21H,4,12H2,1-3H3,(H,22,23)
InChIKeyPCHZLJHMWKDXPT-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.88
Rot. Bonds7

About N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide

N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide (PubChem CID 54815838) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
PubChem CID54815838
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O2/c1-4-14(3)24-17-7-5-6-16(10-17)22-19(23)12-21-15-9-8-13(2)18(20)11-15/h5-11,14,21H,4,12H2,1-3H3,(H,22,23)
InChIKeyPCHZLJHMWKDXPT-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945
3-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829841
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide (CID 54815838) is N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide is CCC(C)Oc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide?
The InChIKey is PCHZLJHMWKDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-4-14(3)24-17-7-5-6-16(10-17)22-19(23)12-21-15-9-8-13(2)18(20)11-15/h5-11,14,21H,4,12H2,1-3H3,(H,22,23).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide?
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide is sourced from PubChem (CID 54815838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).