propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate

C19H19Cl2NO3 — CID 66646632

IUPACpropan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-12(2)25-19(24)16(11-13-7-4-3-5-8-13)22-18(23)17-14(20)9-6-10-15(17)21/h3-10,12,16H,11H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyDVONFEFRNQNLEZ-INIZCTEOSA-N
MW380.27 g/mol
LogP4.29
Rot. Bonds6

About propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate

propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 66646632) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID66646632
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Namepropan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-12(2)25-19(24)16(11-13-7-4-3-5-8-13)22-18(23)17-14(20)9-6-10-15(17)21/h3-10,12,16H,11H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyDVONFEFRNQNLEZ-INIZCTEOSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
CID 110493573
propan-2-yl 2-(chloroamino)-3-phenylpropanoate
CID 174436263
4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]benzoic acid;ethane
CID 143677069
methyl (2S)-3-[4-(bromomethyl)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 59665346
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate
CID 59665488
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)phenyl]propanoate
CID 91470365
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-formylphenyl)phenyl]propanoate
CID 54369932
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(methylamino)ethoxy]phenyl]propanoate
CID 68909362
methyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 142343966

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate (CID 66646632) is propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate is CC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is DVONFEFRNQNLEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-12(2)25-19(24)16(11-13-7-4-3-5-8-13)22-18(23)17-14(20)9-6-10-15(17)21/h3-10,12,16H,11H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate?
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 380.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 66646632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).