2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide

C16H17N3O2 — CID 170876373

IUPAC2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
SMILESNC(=O)CC(N)c1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C16H17N3O2/c17-14(9-15(18)20)12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(19)21/h1-8,14H,9,17H2,(H2,18,20)(H2,19,21)
InChIKeyXLJXOHQKMVTSFU-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide

2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide (PubChem CID 170876373) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
PubChem CID170876373
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
SMILESNC(=O)CC(N)c1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C16H17N3O2/c17-14(9-15(18)20)12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(19)21/h1-8,14H,9,17H2,(H2,18,20)(H2,19,21)
InChIKeyXLJXOHQKMVTSFU-UHFFFAOYSA-N
XLogP1.33
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzoate
CID 170876384
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
3-amino-3-[2-(3-chlorophenyl)phenyl]propanamide
CID 165348994
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
3-amino-3-(2-trimethylsilyloxyphenyl)propanamide
CID 170875762
2-[2-(sulfanyloxymethyl)phenyl]benzamide
CID 145031545
3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
CID 170876009
3-(2-chlorophenyl)pentanediamide
CID 13034531
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide?
The IUPAC name of 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide (CID 170876373) is 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide?
The canonical SMILES for 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide is NC(=O)CC(N)c1ccccc1-c1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide?
The InChIKey is XLJXOHQKMVTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-14(9-15(18)20)12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(19)21/h1-8,14H,9,17H2,(H2,18,20)(H2,19,21).
What are the key properties of 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide?
2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide is sourced from PubChem (CID 170876373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).