2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide

C19H21ClN2O3 — CID 110314461

IUPAC2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-22(2)19(24)16-10-7-14(12-17(16)20)21-18(23)11-6-13-4-8-15(25-3)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,21,23)
InChIKeyNQSHNYAAKIBVRK-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide

2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 110314461) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide
PubChem CID110314461
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-22(2)19(24)16-10-7-14(12-17(16)20)21-18(23)11-6-13-4-8-15(25-3)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,21,23)
InChIKeyNQSHNYAAKIBVRK-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 110314454
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide (CID 110314461) is 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide is COc1ccc(CCC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is NQSHNYAAKIBVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-22(2)19(24)16-10-7-14(12-17(16)20)21-18(23)11-6-13-4-8-15(25-3)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide?
2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 110314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).