N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H22ClNO — CID 114151389

IUPACN-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCl)CCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-12(11-17)5-4-8-18-16(19)15-9-13-6-2-3-7-14(13)10-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyQFJMKVSYPRCTMM-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.17
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 114151389) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID114151389
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCl)CCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H22ClNO/c1-12(11-17)5-4-8-18-16(19)15-9-13-6-2-3-7-14(13)10-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyQFJMKVSYPRCTMM-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-(5-chloro-4-methylpentyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106157071
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894277
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779
ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 114151389) is N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide is CC(CCl)CCCNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is QFJMKVSYPRCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12(11-17)5-4-8-18-16(19)15-9-13-6-2-3-7-14(13)10-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 114151389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).