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

C21H18N2O2 — CID 9245587

IUPACN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O2/c1-2-13-22-21(25)18-9-5-6-10-19(18)23-20(24)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2,(H,22,25)(H,23,24)
InChIKeyUGGJDECAORIFDI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.01
Rot. Bonds5

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

N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 9245587) 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-2-carboxamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID9245587
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O2/c1-2-13-22-21(25)18-9-5-6-10-19(18)23-20(24)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2,(H,22,25)(H,23,24)
InChIKeyUGGJDECAORIFDI-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-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-prop-2-enylbenzamide
CID 4932273
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
CID 90656007
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 4981734
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide (CID 9245587) is N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is UGGJDECAORIFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-13-22-21(25)18-9-5-6-10-19(18)23-20(24)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide?
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-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-2-carboxamide is sourced from PubChem (CID 9245587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).