2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C14H15Cl2N3O2 — CID 154879633

IUPAC2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCOc1cc(N(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-18-8-10(7-17-18)9-19(14(20)6-15)11-3-4-12(16)13(5-11)21-2/h3-5,7-8H,6,9H2,1-2H3
InChIKeyDGJYGMICMFOSKE-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 154879633) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID154879633
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCOc1cc(N(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-18-8-10(7-17-18)9-19(14(20)6-15)11-3-4-12(16)13(5-11)21-2/h3-5,7-8H,6,9H2,1-2H3
InChIKeyDGJYGMICMFOSKE-UHFFFAOYSA-N
XLogP2.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chloro-3-methoxyphenyl)methylsulfonylmethyl]-1-methylpyrazole
CID 167814352
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylprop-2-enamide
CID 55903803
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 79032760
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 167887409
N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
CID 71873157
(E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 31842838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 154879633) is 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is COc1cc(N(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is DGJYGMICMFOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-18-8-10(7-17-18)9-19(14(20)6-15)11-3-4-12(16)13(5-11)21-2/h3-5,7-8H,6,9H2,1-2H3.
What are the key properties of 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 328.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 154879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).