N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide

C14H15Cl2N3O — CID 100742829

IUPACN-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)9-11)3-4-19-14(20)2-1-13-17-5-6-18-13/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyVSYMGEXHHGQDHV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide

N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide (PubChem CID 100742829) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
PubChem CID100742829
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)9-11)3-4-19-14(20)2-1-13-17-5-6-18-13/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyVSYMGEXHHGQDHV-UHFFFAOYSA-N
XLogP3.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 110480475
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649606
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide (CID 100742829) is N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide is O=C(CCc1ncc[nH]1)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide?
The InChIKey is VSYMGEXHHGQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)9-11)3-4-19-14(20)2-1-13-17-5-6-18-13/h5-9H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide?
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide has a molecular weight of 312.20 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 100742829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).