N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide

C20H23Cl2NO — CID 68937415

IUPACN-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO/c1-20(2,3)16-8-4-15(5-9-16)13-23-19(24)11-7-14-6-10-17(21)18(22)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,23,24)
InChIKeyIEFRKCFYOGHMGI-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.54
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide

N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide (PubChem CID 68937415) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
PubChem CID68937415
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO/c1-20(2,3)16-8-4-15(5-9-16)13-23-19(24)11-7-14-6-10-17(21)18(22)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,23,24)
InChIKeyIEFRKCFYOGHMGI-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 100596570
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
CID 110614985
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 123670080
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide (CID 68937415) is N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide is CC(C)(C)c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The InChIKey is IEFRKCFYOGHMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-20(2,3)16-8-4-15(5-9-16)13-23-19(24)11-7-14-6-10-17(21)18(22)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,23,24).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide?
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide has a molecular weight of 364.32 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 68937415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).