2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C19H19BrN2O3 — CID 4935365

IUPAC2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O3/c20-16-9-3-1-7-14(16)19(24)22-17-10-4-2-8-15(17)18(23)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyCJGDRDMERMEPSU-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.61
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4935365) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4935365
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O3/c20-16-9-3-1-7-14(16)19(24)22-17-10-4-2-8-15(17)18(23)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyCJGDRDMERMEPSU-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 4935365) is 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CJGDRDMERMEPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-16-9-3-1-7-14(16)19(24)22-17-10-4-2-8-15(17)18(23)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 403.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4935365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).