3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C23H21BrN2O3 — CID 40789490

IUPAC3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-29-20-12-10-17(11-13-20)22(16-6-3-2-4-7-16)26-21(27)15-25-23(28)18-8-5-9-19(24)14-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyOGQRRSZBULZUJM-JOCHJYFZSA-N
MW453.34 g/mol
LogP4.09
Rot. Bonds7

About 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 40789490) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID40789490
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-29-20-12-10-17(11-13-20)22(16-6-3-2-4-7-16)26-21(27)15-25-23(28)18-8-5-9-19(24)14-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyOGQRRSZBULZUJM-JOCHJYFZSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
CID 24547680
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24649004
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 40789490) is 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is COc1ccc([C@H](NC(=O)CNC(=O)c2cccc(Br)c2)c2ccccc2)cc1.
What is the InChIKey of 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is OGQRRSZBULZUJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-29-20-12-10-17(11-13-20)22(16-6-3-2-4-7-16)26-21(27)15-25-23(28)18-8-5-9-19(24)14-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 453.34 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 40789490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).