2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide

C21H20Cl2N2O2 — CID 33341415

IUPAC2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-3-1-2-17(19(18)23)21(27)25(16-10-11-16)12-13-4-6-14(7-5-13)20(26)24-15-8-9-15/h1-7,15-16H,8-12H2,(H,24,26)
InChIKeyVUIFJQPGAJCVLB-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.69
Rot. Bonds6

About 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide

2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 33341415) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
PubChem CID33341415
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-3-1-2-17(19(18)23)21(27)25(16-10-11-16)12-13-4-6-14(7-5-13)20(26)24-15-8-9-15/h1-7,15-16H,8-12H2,(H,24,26)
InChIKeyVUIFJQPGAJCVLB-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179247
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 34179436
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide (CID 33341415) is 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1.
What is the InChIKey of 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is VUIFJQPGAJCVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-18-3-1-2-17(19(18)23)21(27)25(16-10-11-16)12-13-4-6-14(7-5-13)20(26)24-15-8-9-15/h1-7,15-16H,8-12H2,(H,24,26).
What are the key properties of 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide?
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 403.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 33341415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).