3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide

C22H19BrN2O3 — CID 2236980

IUPAC3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H19BrN2O3/c1-28-20-12-7-16(14-19(20)23)22(27)25-18-10-8-17(9-11-18)24-21(26)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyLRDPPCPZXGULKB-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.89
Rot. Bonds6

About 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide

3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 2236980) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID2236980
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H19BrN2O3/c1-28-20-12-7-16(14-19(20)23)22(27)25-18-10-8-17(9-11-18)24-21(26)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyLRDPPCPZXGULKB-UHFFFAOYSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 17341898
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CID 1255847
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
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CID 32638662
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CID 78955856
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-4-(2-methoxyethoxy)-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17235893
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
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CID 3493450

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide (CID 2236980) is 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is LRDPPCPZXGULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-28-20-12-7-16(14-19(20)23)22(27)25-18-10-8-17(9-11-18)24-21(26)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 2236980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).