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

C19H19BrN2O3 — CID 3697211

IUPAC4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H19BrN2O3/c20-15-7-3-14(4-8-15)19(24)22-16-9-5-13(6-10-16)18(23)21-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24)
InChIKeyLDJDUPYUAUBCRL-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.61
Rot. Bonds5

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

4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3697211) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3697211
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H19BrN2O3/c20-15-7-3-14(4-8-15)19(24)22-16-9-5-13(6-10-16)18(23)21-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24)
InChIKeyLDJDUPYUAUBCRL-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 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 3697211) is 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LDJDUPYUAUBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-7-3-14(4-8-15)19(24)22-16-9-5-13(6-10-16)18(23)21-12-17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(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 4-[(4-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).