N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide

C15H19ClN2O3 — CID 47067239

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
SMILESO=C(CCCNC(=O)C1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-11-5-7-12(8-6-11)18-14(19)4-1-9-17-15(20)13-3-2-10-21-13/h5-8,13H,1-4,9-10H2,(H,17,20)(H,18,19)
InChIKeyKNOJAMFSMVKCEW-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide

N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide (PubChem CID 47067239) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
PubChem CID47067239
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
SMILESO=C(CCCNC(=O)C1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-11-5-7-12(8-6-11)18-14(19)4-1-9-17-15(20)13-3-2-10-21-13/h5-8,13H,1-4,9-10H2,(H,17,20)(H,18,19)
InChIKeyKNOJAMFSMVKCEW-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.35
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-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate
CID 7791264
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
CID 60544613
N-[4-(4-chloroanilino)-4-oxobutyl]-1,3-thiazolidine-4-carboxamide
CID 119297727
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide (CID 47067239) is N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide is O=C(CCCNC(=O)C1CCCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide?
The InChIKey is KNOJAMFSMVKCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-5-7-12(8-6-11)18-14(19)4-1-9-17-15(20)13-3-2-10-21-13/h5-8,13H,1-4,9-10H2,(H,17,20)(H,18,19).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide?
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide is sourced from PubChem (CID 47067239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).