5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide

C17H20Cl2N4O2 — CID 18322353

IUPAC5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N4O2/c1-17(2,3)12-8-11(14(23-12)15(24)20-4)22-16(25)21-10-7-5-6-9(18)13(10)19/h5-8,23H,1-4H3,(H,20,24)(H2,21,22,25)
InChIKeyGLDQOWDWBXXGMT-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.62
Rot. Bonds3

About 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide

5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 18322353) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID18322353
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N4O2/c1-17(2,3)12-8-11(14(23-12)15(24)20-4)22-16(25)21-10-7-5-6-9(18)13(10)19/h5-8,23H,1-4H3,(H,20,24)(H2,21,22,25)
InChIKeyGLDQOWDWBXXGMT-UHFFFAOYSA-N
XLogP4.62
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcarbamoyl-5-tert-butyl-3-pyrrolyl)-N'-(4-methylphenyl)urea
CID 10268342
5-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 49863565
6-Tert-butyl-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 56668674
5-tert-Butyl-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)-propyl)-2-methyl-1H-pyrrole-3-carboxamide hydrochloride
CID 49863566
methyl 2-[1-[5-tert-butyl-3-[(2,3-dichloro-4-fluorophenyl)carbamoylamino]-1H-pyrrole-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate
CID 58679150
1-[5-tert-butyl-2-[4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepane-1-carbonyl]-1H-pyrrol-3-yl]-3-(2,3-dichloro-4-fluorophenyl)urea
CID 58679188
1-[5-tert-butyl-2-(1,1-dioxo-1,2,5-thiadiazepane-5-carbonyl)-1H-pyrrol-3-yl]-3-(2,3-dichloro-4-fluorophenyl)urea
CID 58679202
1-(2,3-dichloro-4-fluorophenyl)-3-[2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-5-(2-methylbutan-2-yl)-1H-pyrrol-3-yl]urea
CID 58679351
1-[5-tert-butyl-2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrrol-3-yl]-3-(2,3-dichloro-4-fluorophenyl)urea
CID 58679433
5-but-3-enyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 45278730
1-(5-tert-butyl-2-(5-oxo-1,4-diazepane-1-carbonyl)-1H-pyrrol-3-yl)-3-(2,3-dichloro-phenyl)urea
CID 58679128
1-(5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-1H-pyrrol-2-yl)-3-(2,3-dichlorophenyl)urea
CID 58679157

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide (CID 18322353) is 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is GLDQOWDWBXXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-17(2,3)12-8-11(14(23-12)15(24)20-4)22-16(25)21-10-7-5-6-9(18)13(10)19/h5-8,23H,1-4H3,(H,20,24)(H2,21,22,25).
What are the key properties of 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide?
5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 4.62, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18322353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).