N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide

C14H18ClNO2 — CID 113313447

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-18-12-6-4-3-5-11(12)13(17)16-10-14(9-15)7-8-14/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyOIMPGTDLAPCAEP-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds6

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide (PubChem CID 113313447) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
PubChem CID113313447
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-18-12-6-4-3-5-11(12)13(17)16-10-14(9-15)7-8-14/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyOIMPGTDLAPCAEP-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[(E)-4-chlorobut-2-enyl]-2-ethoxybenzamide
CID 81430637
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
trans-(1S,2S)-1-[[(2-ethoxybenzoyl)amino]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 146150341
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide (CID 113313447) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide?
The InChIKey is OIMPGTDLAPCAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-12-6-4-3-5-11(12)13(17)16-10-14(9-15)7-8-14/h3-6H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 113313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).