N-(4-bromobutanoyl)naphthalene-1-carboxamide

C15H14BrNO2 — CID 174780891

IUPACN-(4-bromobutanoyl)naphthalene-1-carboxamide
SMILESO=C(CCCBr)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14BrNO2/c16-10-4-9-14(18)17-15(19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,18,19)
InChIKeyRKIGACDAMCIKTP-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.27
Rot. Bonds4

About N-(4-bromobutanoyl)naphthalene-1-carboxamide

N-(4-bromobutanoyl)naphthalene-1-carboxamide (PubChem CID 174780891) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromobutanoyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutanoyl)naphthalene-1-carboxamide
PubChem CID174780891
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-(4-bromobutanoyl)naphthalene-1-carboxamide
SMILESO=C(CCCBr)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14BrNO2/c16-10-4-9-14(18)17-15(19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,18,19)
InChIKeyRKIGACDAMCIKTP-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
CID 22320844
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
lithium 2-bromo-1-naphthalen-1-ylethanone
CID 10015209
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutanoyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-bromobutanoyl)naphthalene-1-carboxamide (CID 174780891) is N-(4-bromobutanoyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-bromobutanoyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-bromobutanoyl)naphthalene-1-carboxamide is O=C(CCCBr)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-bromobutanoyl)naphthalene-1-carboxamide?
The InChIKey is RKIGACDAMCIKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-10-4-9-14(18)17-15(19)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,18,19).
What are the key properties of N-(4-bromobutanoyl)naphthalene-1-carboxamide?
N-(4-bromobutanoyl)naphthalene-1-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutanoyl)naphthalene-1-carboxamide is sourced from PubChem (CID 174780891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).