[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate

C18H16Cl2N2O4 — CID 7724845

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-10(18(25)22-13-5-3-12(4-6-13)17(21)24)26-16(23)9-11-2-7-14(19)15(20)8-11/h2-8,10H,9H2,1H3,(H2,21,24)(H,22,25)/t10-/m1/s1
InChIKeyQIGLVEFJVNMNAP-SNVBAGLBSA-N
MW395.24 g/mol
LogP3.21
Rot. Bonds6

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 7724845) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
PubChem CID7724845
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-10(18(25)22-13-5-3-12(4-6-13)17(21)24)26-16(23)9-11-2-7-14(19)15(20)8-11/h2-8,10H,9H2,1H3,(H2,21,24)(H,22,25)/t10-/m1/s1
InChIKeyQIGLVEFJVNMNAP-SNVBAGLBSA-N
XLogP3.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724829
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724833
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766423
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846081
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7765594
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 55417635
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate (CID 7724845) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate is C[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is QIGLVEFJVNMNAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-10(18(25)22-13-5-3-12(4-6-13)17(21)24)26-16(23)9-11-2-7-14(19)15(20)8-11/h2-8,10H,9H2,1H3,(H2,21,24)(H,22,25)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 395.24 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7724845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).