N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C20H23Cl2NO — CID 162660355

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-7-17(8-5-15)14(3)20(24)23-12-16-6-9-18(21)19(22)11-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24)
InChIKeyIPIXYYNFWIBWRE-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.61
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 162660355) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID162660355
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-7-17(8-5-15)14(3)20(24)23-12-16-6-9-18(21)19(22)11-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24)
InChIKeyIPIXYYNFWIBWRE-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
3,4-dichloro-N-propylbenzamide
CID 346715
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide
CID 44265913
N-((1S)-3-(4-(2-(3,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590586
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
N-(4-chlorobenzyl)-2-cyclohexylacetamide
CID 1121692
2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
CID 2234904

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 162660355) is N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is IPIXYYNFWIBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-7-17(8-5-15)14(3)20(24)23-12-16-6-9-18(21)19(22)11-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 364.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 162660355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).