4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide

C12H16ClNO4 — CID 62498440

IUPAC4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCOCCO
InChIInChI=1S/C12H16ClNO4/c1-17-11-8-9(13)2-3-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeyZRSMSFJARWEHFA-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.09
Rot. Bonds7

About 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide

4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide (PubChem CID 62498440) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
PubChem CID62498440
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCOCCO
InChIInChI=1S/C12H16ClNO4/c1-17-11-8-9(13)2-3-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeyZRSMSFJARWEHFA-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
CID 23141516
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide (CID 62498440) is 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCCOCCO.
What is the InChIKey of 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The InChIKey is ZRSMSFJARWEHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-17-11-8-9(13)2-3-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide has a molecular weight of 273.72 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 62498440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).