2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide

C21H23ClN4O2 — CID 90178109

IUPAC2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCN(C)CCOc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H23ClN4O2/c1-26(2)9-10-28-20-12-17(7-8-18(20)16-13-23-24-14-16)25-21(27)11-15-5-3-4-6-19(15)22/h3-8,12-14H,9-11H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyULCINEYCXRLANC-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.85
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 90178109) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID90178109
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCN(C)CCOc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H23ClN4O2/c1-26(2)9-10-28-20-12-17(7-8-18(20)16-13-23-24-14-16)25-21(27)11-15-5-3-4-6-19(15)22/h3-8,12-14H,9-11H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyULCINEYCXRLANC-UHFFFAOYSA-N
XLogP3.85
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117075504
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2-phenylacetamide
CID 90385244
N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310770
tert-butyl 4-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-(2-methoxyethoxy)phenyl]pyrazole-1-carboxylate
CID 90178141
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 90178158
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
CID 139919354
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
2-(5-bromo-3-pyridinyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]acetamide
CID 139919396
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 90178109) is 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide is CN(C)CCOc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is ULCINEYCXRLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-26(2)9-10-28-20-12-17(7-8-18(20)16-13-23-24-14-16)25-21(27)11-15-5-3-4-6-19(15)22/h3-8,12-14H,9-11H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 90178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).