N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide

C15H17BrN2O2 — CID 71918952

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1=CCCC1
InChIInChI=1S/C15H17BrN2O2/c1-10-8-12(16)6-7-13(10)18-14(19)9-17-15(20)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKJSBUXVBPAWPGD-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide (PubChem CID 71918952) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
PubChem CID71918952
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1=CCCC1
InChIInChI=1S/C15H17BrN2O2/c1-10-8-12(16)6-7-13(10)18-14(19)9-17-15(20)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKJSBUXVBPAWPGD-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8583622
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 27781375
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide (CID 71918952) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C1=CCCC1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide?
The InChIKey is KJSBUXVBPAWPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-8-12(16)6-7-13(10)18-14(19)9-17-15(20)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 71918952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).