N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide

C14H17ClN2O2 — CID 39887824

IUPACN-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-4-12(9-11)17-13(18)5-2-8-16-14(19)10-6-7-10/h1,3-4,9-10H,2,5-8H2,(H,16,19)(H,17,18)
InChIKeyGCTNWUNCHRYISD-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.58
Rot. Bonds6

About N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide

N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 39887824) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
PubChem CID39887824
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-4-12(9-11)17-13(18)5-2-8-16-14(19)10-6-7-10/h1,3-4,9-10H,2,5-8H2,(H,16,19)(H,17,18)
InChIKeyGCTNWUNCHRYISD-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
3-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]propanoic acid
CID 119252599
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide (CID 39887824) is N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is GCTNWUNCHRYISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-3-1-4-12(9-11)17-13(18)5-2-8-16-14(19)10-6-7-10/h1,3-4,9-10H,2,5-8H2,(H,16,19)(H,17,18).
What are the key properties of N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide?
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 39887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).