3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C19H19BrN2O3 — CID 2925305

IUPAC3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN2O3/c20-15-8-6-13(7-9-15)19(24)22-16-4-1-3-14(11-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)
InChIKeyDVESZZJQQHNJGR-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.61
Rot. Bonds5

About 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2925305) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2925305
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN2O3/c20-15-8-6-13(7-9-15)19(24)22-16-4-1-3-14(11-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)
InChIKeyDVESZZJQQHNJGR-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2925305) is 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DVESZZJQQHNJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-8-6-13(7-9-15)19(24)22-16-4-1-3-14(11-16)18(23)21-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24).
What are the key properties of 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[(4-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 3-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2925305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).