4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide

C14H13BrClN3O2 — CID 60932931

IUPAC4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl
InChIInChI=1S/C14H13BrClN3O2/c1-17-13(20)10-6-9(3-4-11(10)16)18-14(21)12-5-8(15)7-19(12)2/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFFUZCXQZWJZZRP-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60932931) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID60932931
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Name4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl
InChIInChI=1S/C14H13BrClN3O2/c1-17-13(20)10-6-9(3-4-11(10)16)18-14(21)12-5-8(15)7-19(12)2/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFFUZCXQZWJZZRP-UHFFFAOYSA-N
XLogP3.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 60932931) is 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide is CNC(=O)c1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl.
What is the InChIKey of 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is FFUZCXQZWJZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-17-13(20)10-6-9(3-4-11(10)16)18-14(21)12-5-8(15)7-19(12)2/h3-7H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60932931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).