2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide

C16H14ClN3O2 — CID 167941639

IUPAC2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
SMILESCc1c(Cl)cccc1OCC(=O)Nc1cc2cc[nH]c2cn1
InChIInChI=1S/C16H14ClN3O2/c1-10-12(17)3-2-4-14(10)22-9-16(21)20-15-7-11-5-6-18-13(11)8-19-15/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyHKDBNJPZPJSHMN-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide

2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide (PubChem CID 167941639) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
PubChem CID167941639
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
SMILESCc1c(Cl)cccc1OCC(=O)Nc1cc2cc[nH]c2cn1
InChIInChI=1S/C16H14ClN3O2/c1-10-12(17)3-2-4-14(10)22-9-16(21)20-15-7-11-5-6-18-13(11)8-19-15/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyHKDBNJPZPJSHMN-UHFFFAOYSA-N
XLogP3.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[6-[[2-(2-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1342446
2-(2,3-dichlorophenoxy)-N-(4-methyl-2-pyridinyl)acetamide
CID 17250266
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
N-(3-chloro-2-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 99839855
N-(1-amino-2-methylpropan-2-yl)-2-(3-chloro-2-methylphenoxy)acetamide
CID 119524681
2-[[2-(3-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119170393
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 51049320
N-(4-amino-2-chlorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867352
2-(2-chlorophenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131949596

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide (CID 167941639) is 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide is Cc1c(Cl)cccc1OCC(=O)Nc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide?
The InChIKey is HKDBNJPZPJSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-12(17)3-2-4-14(10)22-9-16(21)20-15-7-11-5-6-18-13(11)8-19-15/h2-8,18H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide?
2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenoxy)-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 167941639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).