N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H20BrNO — CID 107127754

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C16H20BrNO/c17-10-16(7-8-16)11-18-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11H2,(H,18,19)
InChIKeyHTVQFGVOAVUJHJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.08
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127754) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127754
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C16H20BrNO/c17-10-16(7-8-16)11-18-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11H2,(H,18,19)
InChIKeyHTVQFGVOAVUJHJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.08
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-[[(1R,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137637541
N-[[(1S,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137648419
N-allyl-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 2884775
1-Cyclopropanecarboxamide, 2-phenyl-N-octyl-
CID 3093199
N-allyl-2,2-bis(3-methylphenyl)cyclopropanecarboxamide
CID 2894849
trans-(1R,2R)-2-phenyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 2169623
N-allyl-2,2-diphenylcyclopropanecarboxamide
CID 2884887
cis-(1R,2S)-N-(cyanomethyl)-2-(2-phenylethyl)cyclohexane-1-carboxamide
CID 44406940
4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354308
N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51354594
2,2-bis(4-methylphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 2856772
N-(cyclohexylmethyl)-2-(2-methylphenyl)acetamide
CID 6464658

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127754) is N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCC1(CBr)CC1)C1CCc2ccccc2C1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HTVQFGVOAVUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-10-16(7-8-16)11-18-15(19)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,14H,5-11H2,(H,18,19).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 322.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).