N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide

C19H20ClN3O — CID 174351573

IUPACN-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide
SMILESC/N=C(\NC)c1ccc(C2CC2)cc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O/c1-21-19(22-2)15-10-9-14(13-7-8-13)11-18(15)23(12-24)17-6-4-3-5-16(17)20/h3-6,9-13H,7-8H2,1-2H3,(H,21,22)
InChIKeyJIPKGKCUGTWSIT-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.11
Rot. Bonds5

About N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide

N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide (PubChem CID 174351573) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide
PubChem CID174351573
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide
SMILESC/N=C(\NC)c1ccc(C2CC2)cc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O/c1-21-19(22-2)15-10-9-14(13-7-8-13)11-18(15)23(12-24)17-6-4-3-5-16(17)20/h3-6,9-13H,7-8H2,1-2H3,(H,21,22)
InChIKeyJIPKGKCUGTWSIT-UHFFFAOYSA-N
XLogP4.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
1-(2-chlorophenyl)-7-cyclopropyl-6-fluoro-4-(methylamino)quinazolin-2(1H)-one
CID 148114661
1-(2-chlorophenyl)-7-cyclopropyl-4-(((1S,2S)-2-fluorocyclopropyl)amino)-quinazolin-2(1H)-one, single unknown enantiomer/atropisomer
CID 148754917
1-(2-chlorophenyl)-4-(((1R,2R)-2-fluorocyclopropyl)amino)-7-(trifluoromethyl)-quinazolin-2(1H)-one, single unknown enantiomer/atropisomer
CID 153608215
1-(2-chlorophenyl)-4-(((1S,2S)-2-fluorocyclopropyl)amino)-7-(trifluoromethyl)-quinazolin-2(1H)-one, single unknown enantiomer/atropisomer
CID 153608234
1-(2-chlorophenyl)-7-(difluoromethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 153608517
1-(2-chlorophenyl)-4-(((1R,2S)-2-fluorocyclopropyl)amino)-7-(trifluoro-methyl)quinazolin-2(1H)-one
CID 153608524
1-(2-Chlorophenyl)-6-fluoro-4-(methyl-amino)-7-(trifluoromethyl)hydro-quinazolin-2-one
CID 153608532
1-(2-chlorophenyl)-4-((cyclopropyl-methyl)amino)-7-(1,1-difluoroethyl)-quinazolin-2(1H)-one
CID 153608561
1-(2-chlorophenyl)-6-methyl-4-(methylamino)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 153608634
4-amino-1-(2-chlorophenyl)-7-(1,1-difluoroethyl)quinazolin-2(1H)-one
CID 153608671
1-(2-chlorophenyl)-4-(isopropylamino)-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 153608720

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide (CID 174351573) is N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide is C/N=C(\NC)c1ccc(C2CC2)cc1N(C=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide?
The InChIKey is JIPKGKCUGTWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-21-19(22-2)15-10-9-14(13-7-8-13)11-18(15)23(12-24)17-6-4-3-5-16(17)20/h3-6,9-13H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide?
N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide has a molecular weight of 341.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[5-cyclopropyl-2-(N,N'-dimethylcarbamimidoyl)phenyl]formamide is sourced from PubChem (CID 174351573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).