2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C18H17BrN2O2 — CID 4128024

IUPAC2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-2-20-18(23)16(12-13-8-4-3-5-9-13)21-17(22)14-10-6-7-11-15(14)19/h3-12H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyUDVYDXSZXZKQHZ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.36
Rot. Bonds5

About 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 4128024) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID4128024
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-2-20-18(23)16(12-13-8-4-3-5-9-13)21-17(22)14-10-6-7-11-15(14)19/h3-12H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyUDVYDXSZXZKQHZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(2-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid
CID 2897477
N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
CID 142847272
2-bromo-N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2928761
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
4-[[2-[(2-bromobenzoyl)amino]-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]butanoic acid
CID 2887889
4-[[2-[(2-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid
CID 2888800
2-bromo-N-[(Z)-3-[6-[[(Z)-2-[(2-bromobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]hexylamino]-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
CID 45068608
(2R)-2-[[(Z)-2-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 2257706
2-bromo-N-[1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1327985
N-[3-(ethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3754014
N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2918548
2-chloro-N-[3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 3128994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 4128024) is 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is CCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is UDVYDXSZXZKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-20-18(23)16(12-13-8-4-3-5-9-13)21-17(22)14-10-6-7-11-15(14)19/h3-12H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 373.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 4128024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).