[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C17H15Cl2NO3 — CID 7880684

IUPAC[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c1-11(12-5-3-2-4-6-12)23-16(21)10-20-17(22)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyTWRNJPRVWQMJMI-NSHDSACASA-N
MW352.22 g/mol
LogP4.03
Rot. Bonds5

About [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 7880684) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID7880684
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c1-11(12-5-3-2-4-6-12)23-16(21)10-20-17(22)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyTWRNJPRVWQMJMI-NSHDSACASA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880791
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881788
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899184
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 7880684) is [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is TWRNJPRVWQMJMI-NSHDSACASA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-11(12-5-3-2-4-6-12)23-16(21)10-20-17(22)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 352.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7880684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).