4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide

C19H18BrFN2O — CID 10318130

IUPAC4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(Br)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H18BrFN2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyGBHWFKPGYAZACN-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.71
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide

4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 10318130) has the molecular formula C19H18BrFN2O and a molecular weight of 389.27 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID10318130
Molecular FormulaC19H18BrFN2O
Molecular Weight389.27 g/mol
Exact Mass388.06
IUPAC Name4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(Br)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H18BrFN2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyGBHWFKPGYAZACN-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
(S)-4-(2,5-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44568231
1-(4-Bromobenzyl)-1-(1-ethylpiperidin-4-yl)-3-(4-fluorobenzyl)urea
CID 46884510
1-Benzyl-1-(3-bromobenzyl)-3-isopropylurea
CID 53322727
(2R)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 44409515
1-(3-Amino-2,2-dimethylpropyl)-1-[(2-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 172436825
Cambridge id 5530315
CID 2850260
1-[1-(2-Bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 16363199
1-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)urea
CID 97194210
4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 10041052
4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 10043001
4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10404225

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (CID 10318130) is 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2cc(Br)ccc2F)=CC1c1ccccc1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is GBHWFKPGYAZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 389.27 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 10318130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).