N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide

C16H21ClN2O3 — CID 75496705

IUPACN-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-2-3-15(20)18-12-4-5-13(17)14(10-12)19-16(21)11-6-8-22-9-7-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYYOMIJXTRKQSGY-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.44
Rot. Bonds5

About N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide

N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide (PubChem CID 75496705) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
PubChem CID75496705
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-2-3-15(20)18-12-4-5-13(17)14(10-12)19-16(21)11-6-8-22-9-7-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYYOMIJXTRKQSGY-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]cyclopropanecarboxamide
CID 17174622
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[4-chloro-3-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]butanamide
CID 54786752
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
N-[4-chloro-3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 112800272
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide (CID 75496705) is N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide?
The InChIKey is YYOMIJXTRKQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-3-15(20)18-12-4-5-13(17)14(10-12)19-16(21)11-6-8-22-9-7-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide?
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide is sourced from PubChem (CID 75496705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).