3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide

C17H16N4O4 — CID 167774619

IUPAC3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H16N4O4/c18-15(23)10-4-6-13(7-5-10)21-14(22)9-20-17(25)12-3-1-2-11(8-12)16(19)24/h1-8H,9H2,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22)
InChIKeyYAGMTRCIEYUENV-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.25
Rot. Bonds6

About 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide

3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide (PubChem CID 167774619) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
PubChem CID167774619
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H16N4O4/c18-15(23)10-4-6-13(7-5-10)21-14(22)9-20-17(25)12-3-1-2-11(8-12)16(19)24/h1-8H,9H2,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22)
InChIKeyYAGMTRCIEYUENV-UHFFFAOYSA-N
XLogP0.25
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide (CID 167774619) is 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide is NC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The InChIKey is YAGMTRCIEYUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c18-15(23)10-4-6-13(7-5-10)21-14(22)9-20-17(25)12-3-1-2-11(8-12)16(19)24/h1-8H,9H2,(H2,18,23)(H2,19,24)(H,20,25)(H,21,22).
What are the key properties of 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide?
3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide has a molecular weight of 340.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 167774619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).