2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide

C18H18ClFN2O2 — CID 131934850

IUPAC2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2c(F)ccc(C)c2Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-4-21-17(23)12-7-5-10(2)14(9-12)22-18(24)15-13(20)8-6-11(3)16(15)19/h5-9H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNWOUGHRFHIZMQS-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide

2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide (PubChem CID 131934850) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
PubChem CID131934850
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2c(F)ccc(C)c2Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-4-21-17(23)12-7-5-10(2)14(9-12)22-18(24)15-13(20)8-6-11(3)16(15)19/h5-9H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNWOUGHRFHIZMQS-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55782825
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78886060
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 55782441

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide (CID 131934850) is 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)c2c(F)ccc(C)c2Cl)c1.
What is the InChIKey of 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide?
The InChIKey is NWOUGHRFHIZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-4-21-17(23)12-7-5-10(2)14(9-12)22-18(24)15-13(20)8-6-11(3)16(15)19/h5-9H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide?
2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide has a molecular weight of 348.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide is sourced from PubChem (CID 131934850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).