3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide

C19H17N3O3 — CID 91416891

IUPAC3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Nc2cccc3cc(O)ccc23)c1
InChIInChI=1S/C19H17N3O3/c1-20-18(24)13-5-2-6-14(10-13)21-19(25)22-17-7-3-4-12-11-15(23)8-9-16(12)17/h2-11,23H,1H3,(H,20,24)(H2,21,22,25)
InChIKeyXQHQEPZNAKZVJQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.55
Rot. Bonds3

About 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide

3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide (PubChem CID 91416891) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide
PubChem CID91416891
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Nc2cccc3cc(O)ccc23)c1
InChIInChI=1S/C19H17N3O3/c1-20-18(24)13-5-2-6-14(10-13)21-19(25)22-17-7-3-4-12-11-15(23)8-9-16(12)17/h2-11,23H,1H3,(H,20,24)(H2,21,22,25)
InChIKeyXQHQEPZNAKZVJQ-UHFFFAOYSA-N
XLogP3.55
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide?
The IUPAC name of 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide (CID 91416891) is 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)Nc2cccc3cc(O)ccc23)c1.
What is the InChIKey of 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide?
The InChIKey is XQHQEPZNAKZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-20-18(24)13-5-2-6-14(10-13)21-19(25)22-17-7-3-4-12-11-15(23)8-9-16(12)17/h2-11,23H,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide?
3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide has a molecular weight of 335.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 91416891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).