N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide

C19H15Cl3N2O3 — CID 143455791

IUPACN'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide
SMILESC=C(Cl)N(/C(C=O)=N\Cl)c1ccc(Cl)cc1C(=O)c1cccc(C)c1OC
InChIInChI=1S/C19H15Cl3N2O3/c1-11-5-4-6-14(19(11)27-3)18(26)15-9-13(21)7-8-16(15)24(12(2)20)17(10-25)23-22/h4-10H,2H2,1,3H3/b23-17-
InChIKeyFJGYGIGMHPVYRW-QJOMJCCJSA-N
MW425.70 g/mol
LogP5.16
Rot. Bonds6

About N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide

N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide (PubChem CID 143455791) has the molecular formula C19H15Cl3N2O3 and a molecular weight of 425.70 g/mol. Its IUPAC name is N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide.

Molecular Properties

Compound NameN'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide
PubChem CID143455791
Molecular FormulaC19H15Cl3N2O3
Molecular Weight425.70 g/mol
Exact Mass424.01
IUPAC NameN'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide
SMILESC=C(Cl)N(/C(C=O)=N\Cl)c1ccc(Cl)cc1C(=O)c1cccc(C)c1OC
InChIInChI=1S/C19H15Cl3N2O3/c1-11-5-4-6-14(19(11)27-3)18(26)15-9-13(21)7-8-16(15)24(12(2)20)17(10-25)23-22/h4-10H,2H2,1,3H3/b23-17-
InChIKeyFJGYGIGMHPVYRW-QJOMJCCJSA-N
XLogP5.16
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-chloro-2-(2,3-dimethoxybenzoyl)-N-prop-2-enylanilino]-4-oxobut-2-enoate
CID 76577560
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
3-[(2,4-dichlorophenoxy)methyl]-2-methoxybenzoic acid;1-(2-methoxy-3-methylphenyl)ethanone
CID 157348930
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
CID 139342224
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826

Frequently Asked Questions

What is the IUPAC name of N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide?
The IUPAC name of N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide (CID 143455791) is N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide.
What is the SMILES notation for N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide?
The canonical SMILES for N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide is C=C(Cl)N(/C(C=O)=N\Cl)c1ccc(Cl)cc1C(=O)c1cccc(C)c1OC.
What is the InChIKey of N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide?
The InChIKey is FJGYGIGMHPVYRW-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3/c1-11-5-4-6-14(19(11)27-3)18(26)15-9-13(21)7-8-16(15)24(12(2)20)17(10-25)23-22/h4-10H,2H2,1,3H3/b23-17-.
What are the key properties of N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide?
N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide has a molecular weight of 425.70 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-N-(1-chloroethenyl)-N-[4-chloro-2-(2-methoxy-3-methylbenzoyl)phenyl]-2-oxoethanimidamide is sourced from PubChem (CID 143455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).