2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide

C14H16Cl2N4O2 — CID 57025898

IUPAC2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1ncc(OCc2c(Cl)ccc(N(C)C(=O)CN)c2Cl)[nH]1
InChIInChI=1S/C14H16Cl2N4O2/c1-8-18-6-12(19-8)22-7-9-10(15)3-4-11(14(9)16)20(2)13(21)5-17/h3-4,6H,5,7,17H2,1-2H3,(H,18,19)
InChIKeyGALZWDUPFDIYKF-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide

2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 57025898) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID57025898
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1ncc(OCc2c(Cl)ccc(N(C)C(=O)CN)c2Cl)[nH]1
InChIInChI=1S/C14H16Cl2N4O2/c1-8-18-6-12(19-8)22-7-9-10(15)3-4-11(14(9)16)20(2)13(21)5-17/h3-4,6H,5,7,17H2,1-2H3,(H,18,19)
InChIKeyGALZWDUPFDIYKF-UHFFFAOYSA-N
XLogP2.53
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 67736035
2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
CID 67596093
2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 10720224
2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 15462176
2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 10764741
5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole
CID 57152705
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 54560515
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2-amino-N-[4-[(2,6-dichlorophenyl)methoxy]-2-methylquinolin-3-yl]-N-methylacetamide
CID 22072227
(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(6-ethoxy-3-pyridinyl)prop-2-enamide
CID 67770771
tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
CID 23371746

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide (CID 57025898) is 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide is Cc1ncc(OCc2c(Cl)ccc(N(C)C(=O)CN)c2Cl)[nH]1.
What is the InChIKey of 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is GALZWDUPFDIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c1-8-18-6-12(19-8)22-7-9-10(15)3-4-11(14(9)16)20(2)13(21)5-17/h3-4,6H,5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide?
2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 343.21 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 57025898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).