(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide

C18H14Cl2N4O3 — CID 94382435

IUPAC(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1cccc(Cl)c1Cl)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H14Cl2N4O3/c19-12-3-1-2-10(17(12)20)4-7-15(25)21-9-16(26)22-11-5-6-13-14(8-11)24-18(27)23-13/h1-8H,9H2,(H,21,25)(H,22,26)(H2,23,24,27)/b7-4-
InChIKeyLDNWZBRLXDVOLI-DAXSKMNVSA-N
MW405.24 g/mol
LogP2.93
Rot. Bonds5

About (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide

(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide (PubChem CID 94382435) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide
PubChem CID94382435
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC Name(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1cccc(Cl)c1Cl)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H14Cl2N4O3/c19-12-3-1-2-10(17(12)20)4-7-15(25)21-9-16(26)22-11-5-6-13-14(8-11)24-18(27)23-13/h1-8H,9H2,(H,21,25)(H,22,26)(H2,23,24,27)/b7-4-
InChIKeyLDNWZBRLXDVOLI-DAXSKMNVSA-N
XLogP2.93
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 26713975
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-fluorophenyl)prop-2-enoate
CID 126807763
N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 75842438
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4665308
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 26645031
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500
N-[3-[[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 46401295
(E)-3-(2,3-dichlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide
CID 9146061
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299921

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide (CID 94382435) is (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide is O=C(/C=C\c1cccc(Cl)c1Cl)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide?
The InChIKey is LDNWZBRLXDVOLI-DAXSKMNVSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3/c19-12-3-1-2-10(17(12)20)4-7-15(25)21-9-16(26)22-11-5-6-13-14(8-11)24-18(27)23-13/h1-8H,9H2,(H,21,25)(H,22,26)(H2,23,24,27)/b7-4-.
What are the key properties of (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide?
(Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide has a molecular weight of 405.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-dichlorophenyl)-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 94382435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).