5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide

C15H20ClN3O — CID 63228421

IUPAC5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C15H20ClN3O/c1-4-9-18-14-6-5-12(16)10-13(14)15(20)19(3)11(2)7-8-17/h5-6,10-11,18H,4,7,9H2,1-3H3
InChIKeyWLTNBAWMUIXLQT-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.54
Rot. Bonds6

About 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide

5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide (PubChem CID 63228421) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
PubChem CID63228421
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C15H20ClN3O/c1-4-9-18-14-6-5-12(16)10-13(14)15(20)19(3)11(2)7-8-17/h5-6,10-11,18H,4,7,9H2,1-3H3
InChIKeyWLTNBAWMUIXLQT-UHFFFAOYSA-N
XLogP3.54
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-(2-methoxyethyl)-N-methyl-2-(propylamino)benzamide
CID 62178653
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
1-(1-cyanopropan-2-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 63224591
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 55173969
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
CID 62166351
3-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide (CID 63228421) is 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)N(C)C(C)CC#N.
What is the InChIKey of 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide?
The InChIKey is WLTNBAWMUIXLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-9-18-14-6-5-12(16)10-13(14)15(20)19(3)11(2)7-8-17/h5-6,10-11,18H,4,7,9H2,1-3H3.
What are the key properties of 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide?
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide has a molecular weight of 293.80 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide is sourced from PubChem (CID 63228421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).