N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide

C21H18N2O2 — CID 2174448

IUPACN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-2-14-22-20(24)18-11-5-6-13-19(18)23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h2-13H,1,14H2,(H,22,24)(H,23,25)
InChIKeyQUDWGOOVUDLRRA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 2174448) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID2174448
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-2-14-22-20(24)18-11-5-6-13-19(18)23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h2-13H,1,14H2,(H,22,24)(H,23,25)
InChIKeyQUDWGOOVUDLRRA-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3161672
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 134008567

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 2174448) is N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is QUDWGOOVUDLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-14-22-20(24)18-11-5-6-13-19(18)23-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h2-13H,1,14H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2174448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).