4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide

C16H20ClN5O2 — CID 71922694

IUPAC4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C16H20ClN5O2/c1-4-18-16(24)12-6-5-11(17)8-13(12)19-9-15(23)20-14-7-10(2)21-22(14)3/h5-8,19H,4,9H2,1-3H3,(H,18,24)(H,20,23)
InChIKeyAOTRNYTUHHZAMO-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.18
Rot. Bonds6

About 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide

4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 71922694) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID71922694
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C16H20ClN5O2/c1-4-18-16(24)12-6-5-11(17)8-13(12)19-9-15(23)20-14-7-10(2)21-22(14)3/h5-8,19H,4,9H2,1-3H3,(H,18,24)(H,20,23)
InChIKeyAOTRNYTUHHZAMO-UHFFFAOYSA-N
XLogP2.18
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide (CID 71922694) is 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is AOTRNYTUHHZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-4-18-16(24)12-6-5-11(17)8-13(12)19-9-15(23)20-14-7-10(2)21-22(14)3/h5-8,19H,4,9H2,1-3H3,(H,18,24)(H,20,23).
What are the key properties of 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide?
4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 349.82 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 71922694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).