1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

C19H27BrN2O2 — CID 78847234

IUPAC1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C19H27BrN2O2/c1-4-22(13-17(23)21-14(2)3)18(24)19(10-5-6-11-19)15-8-7-9-16(20)12-15/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,21,23)
InChIKeyDXFNDRXSHJQLLT-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.63
Rot. Bonds6

About 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 78847234) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID78847234
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C19H27BrN2O2/c1-4-22(13-17(23)21-14(2)3)18(24)19(10-5-6-11-19)15-8-7-9-16(20)12-15/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,21,23)
InChIKeyDXFNDRXSHJQLLT-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
1-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylcyclobutane-1-carboxamide
CID 55539017
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
CID 87025793
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112768106
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (CID 78847234) is 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is CCN(CC(=O)NC(C)C)C(=O)C1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DXFNDRXSHJQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-4-22(13-17(23)21-14(2)3)18(24)19(10-5-6-11-19)15-8-7-9-16(20)12-15/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 78847234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).