N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide

C16H15ClN2O2 — CID 108953174

IUPACN-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-19(12-7-3-2-4-8-12)16(21)11-15(20)18-14-10-6-5-9-13(14)17/h2-10H,11H2,1H3,(H,18,20)
InChIKeyNRVVWYDYIWPTGP-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.33
Rot. Bonds4

About N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide

N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide (PubChem CID 108953174) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
PubChem CID108953174
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-19(12-7-3-2-4-8-12)16(21)11-15(20)18-14-10-6-5-9-13(14)17/h2-10H,11H2,1H3,(H,18,20)
InChIKeyNRVVWYDYIWPTGP-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953239
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide (CID 108953174) is N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide is CN(C(=O)CC(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The InChIKey is NRVVWYDYIWPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(12-7-3-2-4-8-12)16(21)11-15(20)18-14-10-6-5-9-13(14)17/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide?
N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide has a molecular weight of 302.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 108953174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).