4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide

C19H21ClN2O3 — CID 46632597

IUPAC4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-5-16(20)11-17)18(23)21-12-14-7-9-15(10-8-14)19(24)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyYVZNDOMETXDPCM-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.13
Rot. Bonds6

About 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide

4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 46632597) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
PubChem CID46632597
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-5-16(20)11-17)18(23)21-12-14-7-9-15(10-8-14)19(24)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeyYVZNDOMETXDPCM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide (CID 46632597) is 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide is CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is YVZNDOMETXDPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-5-16(20)11-17)18(23)21-12-14-7-9-15(10-8-14)19(24)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23).
What are the key properties of 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide?
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46632597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).