N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide

C19H18ClN3O3 — CID 72685132

IUPACN-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide
SMILESCC(=CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12(15-7-2-3-8-16(15)20)9-18(25)23-14-6-4-5-13(10-14)19(26)22-11-17(21)24/h2-10H,11H2,1H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyBDFIUUDRFXCAON-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.60
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide

N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide (PubChem CID 72685132) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide
PubChem CID72685132
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide
SMILESCC(=CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12(15-7-2-3-8-16(15)20)9-18(25)23-14-6-4-5-13(10-14)19(26)22-11-17(21)24/h2-10H,11H2,1H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyBDFIUUDRFXCAON-UHFFFAOYSA-N
XLogP2.60
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119714323
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
3-acetamido-N-ethylbenzamide
CID 17230670
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
CID 89417127
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide (CID 72685132) is N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide is CC(=CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccccc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide?
The InChIKey is BDFIUUDRFXCAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(15-7-2-3-8-16(15)20)9-18(25)23-14-6-4-5-13(10-14)19(26)22-11-17(21)24/h2-10H,11H2,1H3,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide?
N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide has a molecular weight of 371.82 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[3-(2-chlorophenyl)but-2-enoylamino]benzamide is sourced from PubChem (CID 72685132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).