2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide

C20H19Cl2N5O2 — CID 55738079

IUPAC2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C20H19Cl2N5O2/c1-13(26-20(29)16-7-4-8-17(21)18(16)22)19(28)24-9-14-5-2-3-6-15(14)10-27-12-23-11-25-27/h2-8,11-13H,9-10H2,1H3,(H,24,28)(H,26,29)
InChIKeyRCIINAIGQIJGMS-UHFFFAOYSA-N
MW432.31 g/mol
LogP3.07
Rot. Bonds7

About 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide

2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 55738079) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID55738079
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C20H19Cl2N5O2/c1-13(26-20(29)16-7-4-8-17(21)18(16)22)19(28)24-9-14-5-2-3-6-15(14)10-27-12-23-11-25-27/h2-8,11-13H,9-10H2,1H3,(H,24,28)(H,26,29)
InChIKeyRCIINAIGQIJGMS-UHFFFAOYSA-N
XLogP3.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55738713
2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
2-chloro-N-[(2S)-1-oxo-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 8969379
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908667
benzyl N-[(2S)-3-methyl-1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 55938687
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 42933502
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide (CID 55738079) is 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is RCIINAIGQIJGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-13(26-20(29)16-7-4-8-17(21)18(16)22)19(28)24-9-14-5-2-3-6-15(14)10-27-12-23-11-25-27/h2-8,11-13H,9-10H2,1H3,(H,24,28)(H,26,29).
What are the key properties of 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide?
2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 432.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 55738079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).