4-chloro-N-ethoxy-3-methylbenzamide

C10H12ClNO2 — CID 115694489

IUPAC4-chloro-N-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBZCOOMFDUWYBRD-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.33
Rot. Bonds3

About 4-chloro-N-ethoxy-3-methylbenzamide

4-chloro-N-ethoxy-3-methylbenzamide (PubChem CID 115694489) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-chloro-N-ethoxy-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethoxy-3-methylbenzamide
PubChem CID115694489
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-chloro-N-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBZCOOMFDUWYBRD-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
ethyl 4-(4-chloro-3-methylphenyl)-2,4-dioxobutanoate
CID 11254195
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
4-amino-N-ethoxybenzamide
CID 62058413
3-amino-4-bromo-N-ethoxybenzamide
CID 107813148
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-3-methylbutanoate
CID 113256400
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethoxy-3-methylbenzamide?
The IUPAC name of 4-chloro-N-ethoxy-3-methylbenzamide (CID 115694489) is 4-chloro-N-ethoxy-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-ethoxy-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-ethoxy-3-methylbenzamide is CCONC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-ethoxy-3-methylbenzamide?
The InChIKey is BZCOOMFDUWYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-N-ethoxy-3-methylbenzamide?
4-chloro-N-ethoxy-3-methylbenzamide has a molecular weight of 213.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethoxy-3-methylbenzamide is sourced from PubChem (CID 115694489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).