3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide

C11H10ClN5O2 — CID 60739971

IUPAC3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ncn[nH]1
InChIInChI=1S/C11H10ClN5O2/c12-8-3-1-2-7(4-8)10(19)13-5-9(18)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,19)(H2,14,15,16,17,18)
InChIKeyHZMPIRAHEMLDDN-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.83
Rot. Bonds4

About 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide

3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide (PubChem CID 60739971) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide
PubChem CID60739971
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ncn[nH]1
InChIInChI=1S/C11H10ClN5O2/c12-8-3-1-2-7(4-8)10(19)13-5-9(18)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,19)(H2,14,15,16,17,18)
InChIKeyHZMPIRAHEMLDDN-UHFFFAOYSA-N
XLogP0.83
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
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CID 772080
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
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3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
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3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
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CID 2181761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide (CID 60739971) is 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1ncn[nH]1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide?
The InChIKey is HZMPIRAHEMLDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-8-3-1-2-7(4-8)10(19)13-5-9(18)16-11-14-6-15-17-11/h1-4,6H,5H2,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide?
3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide has a molecular weight of 279.69 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 60739971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).