4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide

C17H18BrN3O2 — CID 134021153

IUPAC4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H18BrN3O2/c1-10(20-17(23)15-8-13(18)9-19-15)11-4-6-14(7-5-11)21-16(22)12-2-3-12/h4-10,12,19H,2-3H2,1H3,(H,20,23)(H,21,22)
InChIKeyYAXVIXSFLYXAQW-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.62
Rot. Bonds5

About 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 134021153) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID134021153
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H18BrN3O2/c1-10(20-17(23)15-8-13(18)9-19-15)11-4-6-14(7-5-11)21-16(22)12-2-3-12/h4-10,12,19H,2-3H2,1H3,(H,20,23)(H,21,22)
InChIKeyYAXVIXSFLYXAQW-UHFFFAOYSA-N
XLogP3.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 31421628
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 55584438
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide (CID 134021153) is 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)c[nH]1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YAXVIXSFLYXAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-10(20-17(23)15-8-13(18)9-19-15)11-4-6-14(7-5-11)21-16(22)12-2-3-12/h4-10,12,19H,2-3H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).