N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide

C14H18ClNO — CID 114757948

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(CCCl)CC1
InChIInChI=1S/C14H18ClNO/c1-11-4-2-3-5-12(11)13(17)16-10-14(6-7-14)8-9-15/h2-5H,6-10H2,1H3,(H,16,17)
InChIKeyLURWKWOMHCLTCC-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.13
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide (PubChem CID 114757948) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
PubChem CID114757948
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(CCCl)CC1
InChIInChI=1S/C14H18ClNO/c1-11-4-2-3-5-12(11)13(17)16-10-14(6-7-14)8-9-15/h2-5H,6-10H2,1H3,(H,16,17)
InChIKeyLURWKWOMHCLTCC-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.13
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-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 114758076
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide (CID 114757948) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide?
The InChIKey is LURWKWOMHCLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11-4-2-3-5-12(11)13(17)16-10-14(6-7-14)8-9-15/h2-5H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide has a molecular weight of 251.76 g/mol, XLogP of 3.13, 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-methylbenzamide is sourced from PubChem (CID 114757948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).