4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide

C17H18N2O — CID 43178184

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c18-17(20)13-8-10-14(11-9-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,19H,3,5,7H2,(H2,18,20)
InChIKeyDUNPRRNXPAWCFE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds3

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide

4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide (PubChem CID 43178184) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
PubChem CID43178184
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c18-17(20)13-8-10-14(11-9-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,19H,3,5,7H2,(H2,18,20)
InChIKeyDUNPRRNXPAWCFE-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
4-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzamide
CID 82687025
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
CID 43522924

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide (CID 43178184) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide is NC(=O)c1ccc(NC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide?
The InChIKey is DUNPRRNXPAWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-17(20)13-8-10-14(11-9-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,19H,3,5,7H2,(H2,18,20).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide?
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide is sourced from PubChem (CID 43178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).