N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

C13H15BrN2O2 — CID 27781440

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-8-6-10(14)4-5-11(8)16-12(17)7-15-13(18)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOGAPMRHMIKUHRQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 27781440) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID27781440
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-8-6-10(14)4-5-11(8)16-12(17)7-15-13(18)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOGAPMRHMIKUHRQ-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
(3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 39991156
4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate
CID 6957790
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8583622
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
methyl 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8741823

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 27781440) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OGAPMRHMIKUHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-6-10(14)4-5-11(8)16-12(17)7-15-13(18)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.22, 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]cyclopropanecarboxamide is sourced from PubChem (CID 27781440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).