N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide

C14H13BrN2O2 — CID 91636090

IUPACN-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrN2O2/c15-12-4-3-9-7-11(2-1-10(9)8-12)14(19)17-6-5-13(16)18/h1-4,7-8H,5-6H2,(H2,16,18)(H,17,19)
InChIKeyXQSHOSDARIQDPN-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.21
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide

N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide (PubChem CID 91636090) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
PubChem CID91636090
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrN2O2/c15-12-4-3-9-7-11(2-1-10(9)8-12)14(19)17-6-5-13(16)18/h1-4,7-8H,5-6H2,(H2,16,18)(H,17,19)
InChIKeyXQSHOSDARIQDPN-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
6-bromo-N-but-3-enylnaphthalene-2-carboxamide
CID 113465704
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 113278435
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2-prop-2-ynylsulfanylethyl)naphthalene-2-carboxamide
CID 103824835
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide (CID 91636090) is N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide is NC(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide?
The InChIKey is XQSHOSDARIQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-4-3-9-7-11(2-1-10(9)8-12)14(19)17-6-5-13(16)18/h1-4,7-8H,5-6H2,(H2,16,18)(H,17,19).
What are the key properties of N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide?
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 91636090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).