N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide

C14H18ClNO2 — CID 113273443

IUPACN-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-2-18-12-7-5-11(6-8-12)14(17)16-9-13(15)10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17)
InChIKeyLCRIYWGCPIRUMM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds6

About N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide

N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide (PubChem CID 113273443) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
PubChem CID113273443
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(Cl)C2CC2)cc1
InChIInChI=1S/C14H18ClNO2/c1-2-18-12-7-5-11(6-8-12)14(17)16-9-13(15)10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17)
InChIKeyLCRIYWGCPIRUMM-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-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-(2-bromo-4,4-dimethylpentyl)-4-ethoxybenzamide
CID 107156509
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
4-(dichloromethyl)piperidine;4-ethoxybenzoic acid
CID 175416448
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 17425383

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide (CID 113273443) is N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(Cl)C2CC2)cc1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide?
The InChIKey is LCRIYWGCPIRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-12-7-5-11(6-8-12)14(17)16-9-13(15)10-3-4-10/h5-8,10,13H,2-4,9H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide?
N-(2-chloro-2-cyclopropylethyl)-4-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-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide is sourced from PubChem (CID 113273443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).