N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide

C18H19ClN2O5 — CID 108954919

IUPACN-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-8-11(9-15(25-2)18(14)26-3)20-16(22)10-17(23)21-13-7-5-4-6-12(13)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQPKBIQSAVOUPBE-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.33
Rot. Bonds7

About N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide

N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide (PubChem CID 108954919) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
PubChem CID108954919
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-8-11(9-15(25-2)18(14)26-3)20-16(22)10-17(23)21-13-7-5-4-6-12(13)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQPKBIQSAVOUPBE-UHFFFAOYSA-N
XLogP3.33
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 4222244

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide (CID 108954919) is N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The InChIKey is QPKBIQSAVOUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-24-14-8-11(9-15(25-2)18(14)26-3)20-16(22)10-17(23)21-13-7-5-4-6-12(13)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide?
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide has a molecular weight of 378.81 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide is sourced from PubChem (CID 108954919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).