2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide

C19H15BrClFN2O2 — CID 166339939

IUPAC2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
SMILESC#CC(NC(=O)C(NC(C)=O)c1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H15BrClFN2O2/c1-3-17(15-8-7-14(21)10-16(15)22)24-19(26)18(23-11(2)25)12-5-4-6-13(20)9-12/h1,4-10,17-18H,2H3,(H,23,25)(H,24,26)
InChIKeySUXCLCQJXGNUTB-UHFFFAOYSA-N
MW437.70 g/mol
LogP3.91
Rot. Bonds5

About 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide

2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide (PubChem CID 166339939) has the molecular formula C19H15BrClFN2O2 and a molecular weight of 437.70 g/mol. Its IUPAC name is 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
PubChem CID166339939
Molecular FormulaC19H15BrClFN2O2
Molecular Weight437.70 g/mol
Exact Mass436.00
IUPAC Name2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
SMILESC#CC(NC(=O)C(NC(C)=O)c1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H15BrClFN2O2/c1-3-17(15-8-7-14(21)10-16(15)22)24-19(26)18(23-11(2)25)12-5-4-6-13(20)9-12/h1,4-10,17-18H,2H3,(H,23,25)(H,24,26)
InChIKeySUXCLCQJXGNUTB-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.70
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 44453171
3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195645
4-bromo-N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910406
(2S)-N-[(3-bromophenyl)methyl]-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-3-phenylpropanamide
CID 44386407
(2S)-N-[(4-chlorophenyl)methyl]-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-3-phenylpropanamide
CID 44387134
3-bromo-N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]benzamide
CID 508725
3-bromo-N-[1-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylcarbamoyl]-2-methyl-propyl]benzamide
CID 508776
3-bromo-N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-4-fluoro-benzamide
CID 508823
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24240315
N-[1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 22263995
[(1R)-1-[[(2S)-2-[(3-bromo-6-chloro-2-fluorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 145402583
3-(4-chloro-3-fluorophenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2-oxopropanamide
CID 158063851

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide (CID 166339939) is 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide is C#CC(NC(=O)C(NC(C)=O)c1cccc(Br)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The InChIKey is SUXCLCQJXGNUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClFN2O2/c1-3-17(15-8-7-14(21)10-16(15)22)24-19(26)18(23-11(2)25)12-5-4-6-13(20)9-12/h1,4-10,17-18H,2H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide has a molecular weight of 437.70 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 166339939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).