N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide

C16H15Cl2NO — CID 1407392

IUPACN-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-14(18)6-3-7-15(11)19-16(20)9-8-12-4-2-5-13(17)10-12/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPFSYFGMYRZTWJI-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide

N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide (PubChem CID 1407392) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
PubChem CID1407392
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-14(18)6-3-7-15(11)19-16(20)9-8-12-4-2-5-13(17)10-12/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPFSYFGMYRZTWJI-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
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N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
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3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide (CID 1407392) is N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide is Cc1c(Cl)cccc1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide?
The InChIKey is PFSYFGMYRZTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11-14(18)6-3-7-15(11)19-16(20)9-8-12-4-2-5-13(17)10-12/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide has a molecular weight of 308.21 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 1407392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).