3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide

C15H20BrN3O2 — CID 119685455

IUPAC3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C15H20BrN3O2/c1-9-6-11(16)3-5-13(9)19-14(20)8-18-15(21)10-2-4-12(17)7-10/h3,5-6,10,12H,2,4,7-8,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyQRPWCDZVOLCTSL-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 119685455) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID119685455
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C15H20BrN3O2/c1-9-6-11(16)3-5-13(9)19-14(20)8-18-15(21)10-2-4-12(17)7-10/h3,5-6,10,12H,2,4,7-8,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyQRPWCDZVOLCTSL-UHFFFAOYSA-N
XLogP1.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683795
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
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
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 119685455) is 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is QRPWCDZVOLCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-9-6-11(16)3-5-13(9)19-14(20)8-18-15(21)10-2-4-12(17)7-10/h3,5-6,10,12H,2,4,7-8,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119685455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).