2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide

C18H19BrFN3O3 — CID 78098636

IUPAC2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1F)NC(Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C18H19BrFN3O3/c19-13-6-7-15(14(20)11-13)22-18(26)23-16(17(25)21-8-9-24)10-12-4-2-1-3-5-12/h1-7,11,16,24H,8-10H2,(H,21,25)(H2,22,23,26)
InChIKeyISXHVEOMRHCILC-UHFFFAOYSA-N
MW424.27 g/mol
LogP2.43
Rot. Bonds7

About 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide

2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 78098636) has the molecular formula C18H19BrFN3O3 and a molecular weight of 424.27 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide
PubChem CID78098636
Molecular FormulaC18H19BrFN3O3
Molecular Weight424.27 g/mol
Exact Mass423.06
IUPAC Name2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1F)NC(Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C18H19BrFN3O3/c19-13-6-7-15(14(20)11-13)22-18(26)23-16(17(25)21-8-9-24)10-12-4-2-1-3-5-12/h1-7,11,16,24H,8-10H2,(H,21,25)(H2,22,23,26)
InChIKeyISXHVEOMRHCILC-UHFFFAOYSA-N
XLogP2.43
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 71569333
2-[(4-bromo-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182636
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
CID 47093309
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide
CID 71569839
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
5-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62941863
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide (CID 78098636) is 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide is O=C(Nc1ccc(Br)cc1F)NC(Cc1ccccc1)C(=O)NCCO.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is ISXHVEOMRHCILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O3/c19-13-6-7-15(14(20)11-13)22-18(26)23-16(17(25)21-8-9-24)10-12-4-2-1-3-5-12/h1-7,11,16,24H,8-10H2,(H,21,25)(H2,22,23,26).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 424.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 78098636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).