N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide

C25H23N3O2 — CID 90131501

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)19-11-9-17(10-12-19)16-27-24(29)21-14-13-18-5-1-2-6-20(18)15-21/h1-12,15H,13-14,16,26H2,(H,27,29)(H,28,30)
InChIKeyZYKCPNXRRSBVSB-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.17
Rot. Bonds5

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 90131501) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
PubChem CID90131501
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)19-11-9-17(10-12-19)16-27-24(29)21-14-13-18-5-1-2-6-20(18)15-21/h1-12,15H,13-14,16,26H2,(H,27,29)(H,28,30)
InChIKeyZYKCPNXRRSBVSB-UHFFFAOYSA-N
XLogP4.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 123309364
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
(4-methylpiperazin-1-yl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 22668103
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
CID 10337895
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide (CID 90131501) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(CNC(=O)C2=Cc3ccccc3CC2)cc1.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is ZYKCPNXRRSBVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-22-7-3-4-8-23(22)28-25(30)19-11-9-17(10-12-19)16-27-24(29)21-14-13-18-5-1-2-6-20(18)15-21/h1-12,15H,13-14,16,26H2,(H,27,29)(H,28,30).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 90131501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).