[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

C19H18ClN3O5 — CID 7563374

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18ClN3O5/c1-11(22-18(26)12-6-8-13(20)9-7-12)19(27)28-10-16(24)23-15-5-3-2-4-14(15)17(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)(H,23,24)/t11-/m0/s1
InChIKeyMQAPBQAWJODKHR-NSHDSACASA-N
MW403.82 g/mol
LogP1.74
Rot. Bonds7

About [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7563374) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7563374
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18ClN3O5/c1-11(22-18(26)12-6-8-13(20)9-7-12)19(27)28-10-16(24)23-15-5-3-2-4-14(15)17(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)(H,23,24)/t11-/m0/s1
InChIKeyMQAPBQAWJODKHR-NSHDSACASA-N
XLogP1.74
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
[2-(2-acetylanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882338
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 41080941
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]propanoate
CID 4260264
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570685
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563182
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (2S)-2-benzamidopropanoate
CID 7571839
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2436111

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CID 7563374) is [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is MQAPBQAWJODKHR-NSHDSACASA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-11(22-18(26)12-6-8-13(20)9-7-12)19(27)28-10-16(24)23-15-5-3-2-4-14(15)17(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)(H,23,24)/t11-/m0/s1.
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 403.82 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7563374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).