N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide

C15H19ClN2O3 — CID 86860358

IUPACN-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-21-11-6-7-13(12(16)9-11)18-14(19)3-2-8-17-15(20)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyHDSUFLISCYLRSQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.59
Rot. Bonds7

About N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide

N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 86860358) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
PubChem CID86860358
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-21-11-6-7-13(12(16)9-11)18-14(19)3-2-8-17-15(20)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyHDSUFLISCYLRSQ-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.59
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-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 39887824
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide (CID 86860358) is N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide is COc1ccc(NC(=O)CCCNC(=O)C2CC2)c(Cl)c1.
What is the InChIKey of N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is HDSUFLISCYLRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-11-6-7-13(12(16)9-11)18-14(19)3-2-8-17-15(20)10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide?
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 86860358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).