N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide

C26H21N3O4 — CID 3297600

IUPACN-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O4/c30-24(17-33-23-12-6-10-18-7-4-5-11-22(18)23)28-29-26(32)20-13-15-21(16-14-20)27-25(31)19-8-2-1-3-9-19/h1-16H,17H2,(H,27,31)(H,28,30)(H,29,32)
InChIKeyNJGZRXPOPDBTDP-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.93
Rot. Bonds6

About N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 3297600) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
PubChem CID3297600
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O4/c30-24(17-33-23-12-6-10-18-7-4-5-11-22(18)23)28-29-26(32)20-13-15-21(16-14-20)27-25(31)19-8-2-1-3-9-19/h1-16H,17H2,(H,27,31)(H,28,30)(H,29,32)
InChIKeyNJGZRXPOPDBTDP-UHFFFAOYSA-N
XLogP3.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
CID 3267740
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508209

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide (CID 3297600) is N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide is O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is NJGZRXPOPDBTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c30-24(17-33-23-12-6-10-18-7-4-5-11-22(18)23)28-29-26(32)20-13-15-21(16-14-20)27-25(31)19-8-2-1-3-9-19/h1-16H,17H2,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3297600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).