4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide

C20H20Cl2N2O2 — CID 46579429

IUPAC4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(C(=O)CCc2ccc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(18(22)11-16)6-10-19(25)24(17-8-9-17)12-13-1-3-15(4-2-13)20(23)26/h1-5,7,11,17H,6,8-10,12H2,(H2,23,26)
InChIKeyDSUBPFAGABWTSI-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.22
Rot. Bonds7

About 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide

4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide (PubChem CID 46579429) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
PubChem CID46579429
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(C(=O)CCc2ccc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(18(22)11-16)6-10-19(25)24(17-8-9-17)12-13-1-3-15(4-2-13)20(23)26/h1-5,7,11,17H,6,8-10,12H2,(H2,23,26)
InChIKeyDSUBPFAGABWTSI-UHFFFAOYSA-N
XLogP4.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
CID 38371290
5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
CID 38371276
4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 38363437
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
CID 34183340
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide
CID 46568053
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-4-(3,5-dioxo-1,2,4-triazolidin-4-yl)butanamide
CID 167908214

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide (CID 46579429) is 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide is NC(=O)c1ccc(CN(C(=O)CCc2ccc(Cl)cc2Cl)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide?
The InChIKey is DSUBPFAGABWTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-7-5-14(18(22)11-16)6-10-19(25)24(17-8-9-17)12-13-1-3-15(4-2-13)20(23)26/h1-5,7,11,17H,6,8-10,12H2,(H2,23,26).
What are the key properties of 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide?
4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide has a molecular weight of 391.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 46579429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).