N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide

C15H12BrClFN3O — CID 155198034

IUPACN-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide
SMILESC/C(=C\c1cnc(Cl)cc1NC=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H12BrClFN3O/c1-8(10-3-13(19)12(18)4-11(10)16)2-9-6-20-15(17)5-14(9)21-7-22/h2-7H,19H2,1H3,(H,20,21,22)/b8-2+
InChIKeyMNTQATJCQONHJH-KRXBUXKQSA-N
MW384.64 g/mol
LogP4.35
Rot. Bonds4

About N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide

N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide (PubChem CID 155198034) has the molecular formula C15H12BrClFN3O and a molecular weight of 384.64 g/mol. Its IUPAC name is N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide
PubChem CID155198034
Molecular FormulaC15H12BrClFN3O
Molecular Weight384.64 g/mol
Exact Mass382.98
IUPAC NameN-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide
SMILESC/C(=C\c1cnc(Cl)cc1NC=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H12BrClFN3O/c1-8(10-3-13(19)12(18)4-11(10)16)2-9-6-20-15(17)5-14(9)21-7-22/h2-7H,19H2,1H3,(H,20,21,22)/b8-2+
InChIKeyMNTQATJCQONHJH-KRXBUXKQSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1-ethyl-1,6-naphthyridin-2(1H)-one
CID 89606318
3-(5-Amino-2-bromo-4-fluorophenyl)-7-chloro-1-methyl-1,6-naphthyridin-2-one
CID 89606378
2-[4-(4-Bromoanilino)-6-chloro-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 118412152
1-[4-Bromo-3-(trifluoromethyl)phenyl]-3-(2-chloropyridin-4-yl)urea
CID 150358219
1-(4-Bromo-3,5-difluorophenyl)-3-(2-chloro-4-pyridinyl)urea
CID 150628021
1-(4-Bromo-2-fluorophenyl)-3-(2-chloro-4-pyridinyl)urea
CID 150803977
1-[4-Bromo-3-(2,2,2-trifluoroethyl)phenyl]-3-(2-chloropyridin-4-yl)urea
CID 152724661
1-(2-Chloro-4-pyridinyl)-3-(4-fluoro-3-methylphenyl)urea
CID 153613407
1-[4-Bromo-3-(1,2,2-trifluoroethyl)phenyl]-3-(2-chloro-4-pyridinyl)urea
CID 154943937
3-(5-amino-2-bromo-4-fluorophenyl)-7-chloro-1H-1,6-naphthyridin-2-one
CID 155198035
N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]-N-methylformamide
CID 155198298
1-(3-Bromo-2-chloro-4-pyridinyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 156134839

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide?
The IUPAC name of N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide (CID 155198034) is N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide.
What is the SMILES notation for N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide?
The canonical SMILES for N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide is C/C(=C\c1cnc(Cl)cc1NC=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide?
The InChIKey is MNTQATJCQONHJH-KRXBUXKQSA-N. The full InChI is InChI=1S/C15H12BrClFN3O/c1-8(10-3-13(19)12(18)4-11(10)16)2-9-6-20-15(17)5-14(9)21-7-22/h2-7H,19H2,1H3,(H,20,21,22)/b8-2+.
What are the key properties of N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide?
N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide has a molecular weight of 384.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(5-amino-2-bromo-4-fluorophenyl)prop-1-enyl]-2-chloro-4-pyridinyl]formamide is sourced from PubChem (CID 155198034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).