N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide

C19H15Cl3N4O2 — CID 66855812

IUPACN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NN)c1NC(=O)c1ccn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H15Cl3N4O2/c1-10-7-12(20)8-13(19(28)25-23)16(10)24-18(27)11-5-6-26(9-11)17-14(21)3-2-4-15(17)22/h2-9H,23H2,1H3,(H,24,27)(H,25,28)
InChIKeyYELVHYPVGWZIPS-UHFFFAOYSA-N
MW437.71 g/mol
LogP4.60
Rot. Bonds4

About N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide

N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide (PubChem CID 66855812) has the molecular formula C19H15Cl3N4O2 and a molecular weight of 437.71 g/mol. Its IUPAC name is N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide
PubChem CID66855812
Molecular FormulaC19H15Cl3N4O2
Molecular Weight437.71 g/mol
Exact Mass436.03
IUPAC NameN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NN)c1NC(=O)c1ccn(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H15Cl3N4O2/c1-10-7-12(20)8-13(19(28)25-23)16(10)24-18(27)11-5-6-26(9-11)17-14(21)3-2-4-15(17)22/h2-9H,23H2,1H3,(H,24,27)(H,25,28)
InChIKeyYELVHYPVGWZIPS-UHFFFAOYSA-N
XLogP4.60
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.71
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
CID 143438822
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloropyridin-1-ium-2-yl)-4-iodopyrrole-2-carboxamide
CID 163518143
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 66854239
3,5-dichloro-2-(methylamino)benzohydrazide
CID 43828814
2-amino-3,5-dichloro-N-(2,6-dimethylphenyl)benzamide
CID 1479317
4-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-ethylpyrrole-2-carboxamide
CID 170206423
methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
CID 126500415
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
methyl N-[[5-chloro-2-[[4-chloro-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-3-methylbenzoyl]amino]carbamate
CID 59286838
5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 58202359

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide (CID 66855812) is N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide is Cc1cc(Cl)cc(C(=O)NN)c1NC(=O)c1ccn(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide?
The InChIKey is YELVHYPVGWZIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N4O2/c1-10-7-12(20)8-13(19(28)25-23)16(10)24-18(27)11-5-6-26(9-11)17-14(21)3-2-4-15(17)22/h2-9H,23H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide?
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide has a molecular weight of 437.71 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(2,6-dichlorophenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 66855812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).