2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C15H18ClN3O2 — CID 110441416

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,21-12-6-4-11(16)5-7-12)14(20)18-10-13-17-8-9-19(13)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyNVLPNQAMAGNPDC-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 110441416) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID110441416
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,21-12-6-4-11(16)5-7-12)14(20)18-10-13-17-8-9-19(13)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyNVLPNQAMAGNPDC-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 100664586
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 91966529
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide
CID 51303948
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 110441416) is 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is Cn1ccnc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is NVLPNQAMAGNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,21-12-6-4-11(16)5-7-12)14(20)18-10-13-17-8-9-19(13)3/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 307.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110441416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).