2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide

C19H21ClN2O3 — CID 4945322

IUPAC2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12(2)21-19(24)15-6-4-5-7-17(15)22-18(23)11-25-14-8-9-16(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyITCKLAWMYBTMAV-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.80
Rot. Bonds6

About 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 4945322) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID4945322
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12(2)21-19(24)15-6-4-5-7-17(15)22-18(23)11-25-14-8-9-16(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyITCKLAWMYBTMAV-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide (CID 4945322) is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide is Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ITCKLAWMYBTMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(2)21-19(24)15-6-4-5-7-17(15)22-18(23)11-25-14-8-9-16(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4945322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).