N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide

C23H22BrNO4 — CID 985979

IUPACN-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C23H22BrNO4/c1-27-19-13-16(14-20(28-2)22(19)29-3)23(26)25-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24/h4-14,21H,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyWBYQLDPALLXMGN-OAQYLSRUSA-N
MW456.34 g/mol
LogP4.99
Rot. Bonds7

About N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide

N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide (PubChem CID 985979) has the molecular formula C23H22BrNO4 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
PubChem CID985979
Molecular FormulaC23H22BrNO4
Molecular Weight456.34 g/mol
Exact Mass455.07
IUPAC NameN-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)cc(OC)c1OC
InChIInChI=1S/C23H22BrNO4/c1-27-19-13-16(14-20(28-2)22(19)29-3)23(26)25-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24/h4-14,21H,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyWBYQLDPALLXMGN-OAQYLSRUSA-N
XLogP4.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3,4,5-trimethoxybenzamide
CID 3969876
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 41143426
N-[(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 23004512
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide (CID 985979) is N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)cc(OC)c1OC.
What is the InChIKey of N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WBYQLDPALLXMGN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22BrNO4/c1-27-19-13-16(14-20(28-2)22(19)29-3)23(26)25-21(15-9-5-4-6-10-15)17-11-7-8-12-18(17)24/h4-14,21H,1-3H3,(H,25,26)/t21-/m1/s1.
What are the key properties of N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide?
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 456.34 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 985979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).