methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate

C19H19ClN2O4 — CID 113176223

IUPACmethyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-13(23)22(17-5-3-4-15(10-17)19(25)26-2)12-18(24)21-11-14-6-8-16(20)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyKRLAFJHCDYCTKY-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate

methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate (PubChem CID 113176223) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
PubChem CID113176223
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Namemethyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-13(23)22(17-5-3-4-15(10-17)19(25)26-2)12-18(24)21-11-14-6-8-16(20)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyKRLAFJHCDYCTKY-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[acetyl-[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 113176290
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate (CID 113176223) is methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)c1.
What is the InChIKey of methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The InChIKey is KRLAFJHCDYCTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13(23)22(17-5-3-4-15(10-17)19(25)26-2)12-18(24)21-11-14-6-8-16(20)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).