N-(1-bromopropan-2-yl)naphthalene-2-carboxamide

C14H14BrNO — CID 114310701

IUPACN-(1-bromopropan-2-yl)naphthalene-2-carboxamide
SMILESCC(CBr)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14BrNO/c1-10(9-15)16-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyBEBVBHZCSBZGFD-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.35
Rot. Bonds3

About N-(1-bromopropan-2-yl)naphthalene-2-carboxamide

N-(1-bromopropan-2-yl)naphthalene-2-carboxamide (PubChem CID 114310701) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)naphthalene-2-carboxamide
PubChem CID114310701
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC NameN-(1-bromopropan-2-yl)naphthalene-2-carboxamide
SMILESCC(CBr)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14BrNO/c1-10(9-15)16-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyBEBVBHZCSBZGFD-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-carboxamide
CID 892675
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
CID 106356124
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)naphthalene-2-carboxamide (CID 114310701) is N-(1-bromopropan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)naphthalene-2-carboxamide is CC(CBr)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-bromopropan-2-yl)naphthalene-2-carboxamide?
The InChIKey is BEBVBHZCSBZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10(9-15)16-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-(1-bromopropan-2-yl)naphthalene-2-carboxamide?
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide has a molecular weight of 292.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 114310701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).