[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate

C19H19ClN2O4 — CID 7827234

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O4/c1-13(18(24)22-16-5-3-2-4-6-16)26-17(23)11-12-21-19(25)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,25)(H,22,24)/t13-/m1/s1
InChIKeyQXPXKPFZMYDMRY-CYBMUJFWSA-N
MW374.82 g/mol
LogP3.03
Rot. Bonds7

About [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate

[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827234) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827234
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O4/c1-13(18(24)22-16-5-3-2-4-6-16)26-17(23)11-12-21-19(25)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,25)(H,22,24)/t13-/m1/s1
InChIKeyQXPXKPFZMYDMRY-CYBMUJFWSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827276
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521332
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 8522923
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805323
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42969092
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750903
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 8841611
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878422
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878949

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827234) is [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate is C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is QXPXKPFZMYDMRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13(18(24)22-16-5-3-2-4-6-16)26-17(23)11-12-21-19(25)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,25)(H,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate?
[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 374.82 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).