N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide

C15H14BrClN2O — CID 61401000

IUPACN-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C15H14BrClN2O/c16-11-3-1-10(2-4-11)8-18-15(20)14-7-12(17)9-19(14)13-5-6-13/h1-4,7,9,13H,5-6,8H2,(H,18,20)
InChIKeyAZNRPINEDXXECP-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.17
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide

N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 61401000) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
PubChem CID61401000
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C15H14BrClN2O/c16-11-3-1-10(2-4-11)8-18-15(20)14-7-12(17)9-19(14)13-5-6-13/h1-4,7,9,13H,5-6,8H2,(H,18,20)
InChIKeyAZNRPINEDXXECP-UHFFFAOYSA-N
XLogP4.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62989655
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
4-chloro-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222329
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
CID 65114132
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81065103
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 107612539
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide (CID 61401000) is N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide is O=C(NCc1ccc(Br)cc1)c1cc(Cl)cn1C1CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is AZNRPINEDXXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-11-3-1-10(2-4-11)8-18-15(20)14-7-12(17)9-19(14)13-5-6-13/h1-4,7,9,13H,5-6,8H2,(H,18,20).
What are the key properties of N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 61401000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).