4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide

C14H19ClN2O2 — CID 50956773

IUPAC4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Cl)cc1NC(=O)CC
InChIInChI=1S/C14H19ClN2O2/c1-4-8-17(3)14(19)11-7-6-10(15)9-12(11)16-13(18)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyLJIUUNOYDZXYOM-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide

4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide (PubChem CID 50956773) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
PubChem CID50956773
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Cl)cc1NC(=O)CC
InChIInChI=1S/C14H19ClN2O2/c1-4-8-17(3)14(19)11-7-6-10(15)9-12(11)16-13(18)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyLJIUUNOYDZXYOM-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
CID 131910409
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
CID 50963271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide?
The IUPAC name of 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide (CID 50956773) is 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide is CCCN(C)C(=O)c1ccc(Cl)cc1NC(=O)CC.
What is the InChIKey of 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide?
The InChIKey is LJIUUNOYDZXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-8-17(3)14(19)11-7-6-10(15)9-12(11)16-13(18)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide?
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide is sourced from PubChem (CID 50956773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).