1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide

C17H25BrN2O — CID 120652825

IUPAC1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C17H25BrN2O/c1-3-19-13(2)12-20-16(21)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeySYIPAACGQAJSTH-CYBMUJFWSA-N
MW353.30 g/mol
LogP3.38
Rot. Bonds6

About 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide

1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide (PubChem CID 120652825) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
PubChem CID120652825
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C17H25BrN2O/c1-3-19-13(2)12-20-16(21)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeySYIPAACGQAJSTH-CYBMUJFWSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 86935723

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide (CID 120652825) is 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide is CCN[C@H](C)CNC(=O)C1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The InChIKey is SYIPAACGQAJSTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-19-13(2)12-20-16(21)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 120652825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).