N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C16H20ClNO — CID 114758092

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2,(H,18,19)
InChIKeyBHMJQHYLUCBCLS-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.31
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 114758092) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID114758092
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2,(H,18,19)
InChIKeyBHMJQHYLUCBCLS-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.31
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-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
N-[[1-[(2-chloroacetyl)amino]cycloheptyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154874717
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 114758169
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103824963
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 114758092) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC1(CCCl)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BHMJQHYLUCBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2,(H,18,19).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 277.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 114758092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).