N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide

C15H20Cl2N2O2 — CID 110356787

IUPACN-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)NCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-11(20)18-8-2-3-9-19-15(21)7-5-12-4-6-13(16)14(17)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyOXXQDHGKSHILRU-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.96
Rot. Bonds8

About N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide

N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide (PubChem CID 110356787) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
PubChem CID110356787
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
SMILESCC(=O)NCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-11(20)18-8-2-3-9-19-15(21)7-5-12-4-6-13(16)14(17)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyOXXQDHGKSHILRU-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
CID 123145328
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110617365
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide (CID 110356787) is N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide is CC(=O)NCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide?
The InChIKey is OXXQDHGKSHILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-11(20)18-8-2-3-9-19-15(21)7-5-12-4-6-13(16)14(17)10-12/h4,6,10H,2-3,5,7-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide?
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide has a molecular weight of 331.24 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 110356787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).