2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide

C17H19N3O — CID 61305411

IUPAC2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide
SMILESNC(=O)c1cc(Nc2cccc3c2CCCC3)ccc1N
InChIInChI=1S/C17H19N3O/c18-15-9-8-12(10-14(15)17(19)21)20-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,20H,1-2,4,6,18H2,(H2,19,21)
InChIKeyUHDZRTMLWCNAMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide

2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide (PubChem CID 61305411) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide
PubChem CID61305411
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide
SMILESNC(=O)c1cc(Nc2cccc3c2CCCC3)ccc1N
InChIInChI=1S/C17H19N3O/c18-15-9-8-12(10-14(15)17(19)21)20-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,20H,1-2,4,6,18H2,(H2,19,21)
InChIKeyUHDZRTMLWCNAMX-UHFFFAOYSA-N
XLogP2.99
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.99
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

4-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 62911091
2-amino-5-(2,3-difluoroanilino)benzamide
CID 61306978
2-amino-5-(3-chloro-2-fluoroanilino)benzamide
CID 55134954
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781
2-chloro-5-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 115554482
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)benzamide
CID 80554550
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide?
The IUPAC name of 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide (CID 61305411) is 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide is NC(=O)c1cc(Nc2cccc3c2CCCC3)ccc1N.
What is the InChIKey of 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide?
The InChIKey is UHDZRTMLWCNAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-9-8-12(10-14(15)17(19)21)20-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10,20H,1-2,4,6,18H2,(H2,19,21).
What are the key properties of 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide?
2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzamide is sourced from PubChem (CID 61305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).