[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium

C23H21Cl2N2O3+ — CID 2133558

IUPAC[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium
SMILESCOC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-30-21(28)14-26-22(15-5-3-2-4-6-15)19-13-18(25)11-12-20(19)27-23(29)16-7-9-17(24)10-8-16/h2-13,22,26H,14H2,1H3,(H,27,29)/p+1/t22-/m1/s1
InChIKeyZTRBXDQAJTZOCQ-JOCHJYFZSA-O
MW444.34 g/mol
LogP4.07
Rot. Bonds7

About [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium

[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium (PubChem CID 2133558) has the molecular formula C23H21Cl2N2O3+ and a molecular weight of 444.34 g/mol. Its IUPAC name is [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium.

Molecular Properties

Compound Name[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium
PubChem CID2133558
Molecular FormulaC23H21Cl2N2O3+
Molecular Weight444.34 g/mol
Exact Mass443.09
IUPAC Name[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium
SMILESCOC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-30-21(28)14-26-22(15-5-3-2-4-6-15)19-13-18(25)11-12-20(19)27-23(29)16-7-9-17(24)10-8-16/h2-13,22,26H,14H2,1H3,(H,27,29)/p+1/t22-/m1/s1
InChIKeyZTRBXDQAJTZOCQ-JOCHJYFZSA-O
XLogP4.07
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium with MolForge

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Related Compounds

[[5-bromo-2-[(3-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-ethoxy-2-oxoethyl)azanium
CID 5080723
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
CID 7337863
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111

Frequently Asked Questions

What is the IUPAC name of [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium?
The IUPAC name of [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium (CID 2133558) is [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium.
What is the SMILES notation for [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium?
The canonical SMILES for [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium is COC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium?
The InChIKey is ZTRBXDQAJTZOCQ-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-30-21(28)14-26-22(15-5-3-2-4-6-15)19-13-18(25)11-12-20(19)27-23(29)16-7-9-17(24)10-8-16/h2-13,22,26H,14H2,1H3,(H,27,29)/p+1/t22-/m1/s1.
What are the key properties of [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium?
[(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium has a molecular weight of 444.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[5-chloro-2-[(4-chlorobenzoyl)amino]phenyl]-phenylmethyl]-(2-methoxy-2-oxoethyl)azanium is sourced from PubChem (CID 2133558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).