3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide

C14H17Cl2N3O2 — CID 119034743

IUPAC3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPBXJJBLBDWBLKB-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.58
Rot. Bonds3

About 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide

3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide (PubChem CID 119034743) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
PubChem CID119034743
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPBXJJBLBDWBLKB-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753
4-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-1-carboxamide
CID 95284112
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43109864
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
CID 95977786
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide (CID 119034743) is 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
The InChIKey is PBXJJBLBDWBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-8(10-3-4-12(15)13(16)5-10)17-14(21)19-6-11(7-19)18-9(2)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide?
3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 119034743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).