1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide

C19H25BrN4O — CID 86935723

IUPAC1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)n1cnnc1CCNC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C19H25BrN4O/c1-14(2)24-13-22-23-17(24)8-11-21-18(25)19(9-3-4-10-19)15-6-5-7-16(20)12-15/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,21,25)
InChIKeySNLHSTOSVRVXEB-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.79
Rot. Bonds6

About 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide

1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 86935723) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID86935723
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)n1cnnc1CCNC(=O)C1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C19H25BrN4O/c1-14(2)24-13-22-23-17(24)8-11-21-18(25)19(9-3-4-10-19)15-6-5-7-16(20)12-15/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,21,25)
InChIKeySNLHSTOSVRVXEB-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
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N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
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1-(3-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 78810305
1-(3-chlorophenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide (CID 86935723) is 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide is CC(C)n1cnnc1CCNC(=O)C1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is SNLHSTOSVRVXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-14(2)24-13-22-23-17(24)8-11-21-18(25)19(9-3-4-10-19)15-6-5-7-16(20)12-15/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,21,25).
What are the key properties of 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide?
1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 86935723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).