1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide

C15H15BrN2O — CID 106385541

IUPAC1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H15BrN2O/c16-13-3-1-12(2-4-13)15(6-7-15)14(19)18-10-11-5-8-17-9-11/h1-5,8-9,17H,6-7,10H2,(H,18,19)
InChIKeyOVJAFZBXPPNPSM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 106385541) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID106385541
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc[nH]c1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H15BrN2O/c16-13-3-1-12(2-4-13)15(6-7-15)14(19)18-10-11-5-8-17-9-11/h1-5,8-9,17H,6-7,10H2,(H,18,19)
InChIKeyOVJAFZBXPPNPSM-UHFFFAOYSA-N
XLogP3.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
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2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide (CID 106385541) is 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cc[nH]c1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is OVJAFZBXPPNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-3-1-12(2-4-13)15(6-7-15)14(19)18-10-11-5-8-17-9-11/h1-5,8-9,17H,6-7,10H2,(H,18,19).
What are the key properties of 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106385541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).