5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C18H19BrN2O3 — CID 1299225

IUPAC5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQRLQFFNBAMHJMW-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide

5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 1299225) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID1299225
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQRLQFFNBAMHJMW-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 1299225) is 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is QRLQFFNBAMHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 1299225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).