N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide

C16H16ClNO — CID 115456005

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1cccc2ccccc12
InChIInChI=1S/C16H16ClNO/c17-10-16(8-9-16)11-18-15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,19)
InChIKeyLJTRVQXSRKKQRO-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.59
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide

N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide (PubChem CID 115456005) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
PubChem CID115456005
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1cccc2ccccc12
InChIInChI=1S/C16H16ClNO/c17-10-16(8-9-16)11-18-15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,19)
InChIKeyLJTRVQXSRKKQRO-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.59
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-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
2-chloro-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115456051
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 104615778
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide (CID 115456005) is N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide is O=C(NCC1(CCl)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide?
The InChIKey is LJTRVQXSRKKQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-10-16(8-9-16)11-18-15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 115456005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).