3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide

C14H20ClN3O3 — CID 170581186

IUPAC3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(C)=O.CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO.C6H12N2O2/c1-10-8(11)6-3-2-4-7(9)5-6;1-3-4-7-6(10)8-5(2)9/h2-5H,1H3,(H,10,11);3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyRBDHGADGEOSKPZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.94
Rot. Bonds3

About 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide

3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide (PubChem CID 170581186) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide
PubChem CID170581186
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(C)=O.CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO.C6H12N2O2/c1-10-8(11)6-3-2-4-7(9)5-6;1-3-4-7-6(10)8-5(2)9/h2-5H,1H3,(H,10,11);3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyRBDHGADGEOSKPZ-UHFFFAOYSA-N
XLogP1.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
CID 2768727
3-chlorobenzoyl chloride;N,3-dimethylbenzamide
CID 159987472
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
1-[(3-chlorobenzoyl)amino]-3-ethylthiourea
CID 4029166
3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide
CID 589064
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide?
The IUPAC name of 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide (CID 170581186) is 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide?
The canonical SMILES for 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(C)=O.CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide?
The InChIKey is RBDHGADGEOSKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C6H12N2O2/c1-10-8(11)6-3-2-4-7(9)5-6;1-3-4-7-6(10)8-5(2)9/h2-5H,1H3,(H,10,11);3-4H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide?
3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylbenzamide;N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 170581186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).