2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide

C16H16N4O3 — CID 54842453

IUPAC2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H16N4O3/c17-15(22)10-4-3-5-11(8-10)19-9-14(21)20-13-7-2-1-6-12(13)16(18)23/h1-8,19H,9H2,(H2,17,22)(H2,18,23)(H,20,21)
InChIKeyJPLDOXVMDSCBTJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.94
Rot. Bonds6

About 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide

2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide (PubChem CID 54842453) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
PubChem CID54842453
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H16N4O3/c17-15(22)10-4-3-5-11(8-10)19-9-14(21)20-13-7-2-1-6-12(13)16(18)23/h1-8,19H,9H2,(H2,17,22)(H2,18,23)(H,20,21)
InChIKeyJPLDOXVMDSCBTJ-UHFFFAOYSA-N
XLogP0.94
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840938
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide (CID 54842453) is 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide is NC(=O)c1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide?
The InChIKey is JPLDOXVMDSCBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-15(22)10-4-3-5-11(8-10)19-9-14(21)20-13-7-2-1-6-12(13)16(18)23/h1-8,19H,9H2,(H2,17,22)(H2,18,23)(H,20,21).
What are the key properties of 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide?
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide has a molecular weight of 312.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54842453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).