methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate

C19H21BrN2O3 — CID 9263761

IUPACmethyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
SMILESCC[C@H](NCC(=O)Nc1ccccc1C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)21-12-18(23)22-17-7-5-4-6-15(17)19(24)25-2/h4-11,16,21H,3,12H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyAWRBRMBWBRZSLY-INIZCTEOSA-N
MW405.29 g/mol
LogP3.92
Rot. Bonds7

About methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate

methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate (PubChem CID 9263761) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
PubChem CID9263761
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Namemethyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
SMILESCC[C@H](NCC(=O)Nc1ccccc1C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)21-12-18(23)22-17-7-5-4-6-15(17)19(24)25-2/h4-11,16,21H,3,12H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyAWRBRMBWBRZSLY-INIZCTEOSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
methyl 4-[[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]methyl]benzoate
CID 9263688
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate (CID 9263761) is methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate is CC[C@H](NCC(=O)Nc1ccccc1C(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate?
The InChIKey is AWRBRMBWBRZSLY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)21-12-18(23)22-17-7-5-4-6-15(17)19(24)25-2/h4-11,16,21H,3,12H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate?
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate has a molecular weight of 405.29 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 9263761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).