N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H22ClNO — CID 107127772

IUPACN-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(Cl)CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-2-15(17)9-10-18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyIEEPRUHWRDMTPW-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.32
Rot. Bonds5

About N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127772) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127772
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(Cl)CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-2-15(17)9-10-18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyIEEPRUHWRDMTPW-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.32
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-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127772) is N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCC(Cl)CCNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IEEPRUHWRDMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-15(17)9-10-18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,19).
What are the key properties of N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).