N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide

C14H17ClN2O2 — CID 112998029

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C14H17ClN2O2/c1-9-5-6-11(15)7-12(9)17-13(18)8-16-14(19)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyPIHCTJOQWGWZPS-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112998029) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112998029
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C14H17ClN2O2/c1-9-5-6-11(15)7-12(9)17-13(18)8-16-14(19)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyPIHCTJOQWGWZPS-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131911751
N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22776748
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 112998029) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide is Cc1ccc(Cl)cc1NC(=O)CNC(=O)C1CCC1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is PIHCTJOQWGWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-5-6-11(15)7-12(9)17-13(18)8-16-14(19)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112998029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).