2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C19H18Cl2N2O3 — CID 17202248

IUPAC2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-13-6-7-16(17(21)10-13)19(25)23-14-4-1-3-12(9-14)18(24)22-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,22,24)(H,23,25)
InChIKeyJETJUWPTZMALFO-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.15
Rot. Bonds5

About 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 17202248) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID17202248
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-13-6-7-16(17(21)10-13)19(25)23-14-4-1-3-12(9-14)18(24)22-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,22,24)(H,23,25)
InChIKeyJETJUWPTZMALFO-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
2-[(2,4-dichlorobenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1305398
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 17202248) is 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is JETJUWPTZMALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-13-6-7-16(17(21)10-13)19(25)23-14-4-1-3-12(9-14)18(24)22-11-15-5-2-8-26-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,22,24)(H,23,25).
What are the key properties of 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 393.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17202248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).