benzene-1,3-dicarboxylic acid;formamide;naphthalene

C19H17NO5 — CID 174570728

IUPACbenzene-1,3-dicarboxylic acid;formamide;naphthalene
SMILESNC=O.O=C(O)c1cccc(C(=O)O)c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H6O4.CH3NO/c1-2-6-10-8-4-3-7-9(10)5-1;9-7(10)5-2-1-3-6(4-5)8(11)12;2-1-3/h1-8H;1-4H,(H,9,10)(H,11,12);1H,(H2,2,3)
InChIKeyIKVRQDYXFIPEFD-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.02
Rot. Bonds2

About benzene-1,3-dicarboxylic acid;formamide;naphthalene

benzene-1,3-dicarboxylic acid;formamide;naphthalene (PubChem CID 174570728) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;formamide;naphthalene.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;formamide;naphthalene
PubChem CID174570728
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namebenzene-1,3-dicarboxylic acid;formamide;naphthalene
SMILESNC=O.O=C(O)c1cccc(C(=O)O)c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H6O4.CH3NO/c1-2-6-10-8-4-3-7-9(10)5-1;9-7(10)5-2-1-3-6(4-5)8(11)12;2-1-3/h1-8H;1-4H,(H,9,10)(H,11,12);1H,(H2,2,3)
InChIKeyIKVRQDYXFIPEFD-UHFFFAOYSA-N
XLogP3.02
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzene-1,3-dicarboxylic acid;formamide;naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoic acid;formamide
CID 23295678
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
3-carbamoylbenzoic acid
CID 3014284
naphthalene-2-carboxylic acid
CID 175967775
3-(3-carboxybenzoyl)benzoic acid
CID 754396

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;formamide;naphthalene?
The IUPAC name of benzene-1,3-dicarboxylic acid;formamide;naphthalene (CID 174570728) is benzene-1,3-dicarboxylic acid;formamide;naphthalene.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;formamide;naphthalene?
The canonical SMILES for benzene-1,3-dicarboxylic acid;formamide;naphthalene is NC=O.O=C(O)c1cccc(C(=O)O)c1.c1ccc2ccccc2c1.
What is the InChIKey of benzene-1,3-dicarboxylic acid;formamide;naphthalene?
The InChIKey is IKVRQDYXFIPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H6O4.CH3NO/c1-2-6-10-8-4-3-7-9(10)5-1;9-7(10)5-2-1-3-6(4-5)8(11)12;2-1-3/h1-8H;1-4H,(H,9,10)(H,11,12);1H,(H2,2,3).
What are the key properties of benzene-1,3-dicarboxylic acid;formamide;naphthalene?
benzene-1,3-dicarboxylic acid;formamide;naphthalene has a molecular weight of 339.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;formamide;naphthalene is sourced from PubChem (CID 174570728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).