N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C16H22ClNO — CID 106894177

IUPACN-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(C)N(CCCCl)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-12(2)18(9-5-8-17)16(19)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyKDXPJRUCYDWIRX-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.27
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide

N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894177) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894177
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(C)N(CCCCl)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-12(2)18(9-5-8-17)16(19)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyKDXPJRUCYDWIRX-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
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CID 65021157
N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894183
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107491458
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
N-(3-chloropropyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 63390906
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 106894177) is N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide is CC(C)N(CCCCl)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KDXPJRUCYDWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12(2)18(9-5-8-17)16(19)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).