N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide

C21H24ClFN2O2 — CID 42707122

IUPACN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCNC(=O)C(C)(C)CCl)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-15-6-4-5-7-18(15)19(26)25(17-10-8-16(23)9-11-17)13-12-24-20(27)21(2,3)14-22/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyDVQPMMKCXIWETO-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide

N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide (PubChem CID 42707122) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide
PubChem CID42707122
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC NameN-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(CCNC(=O)C(C)(C)CCl)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-15-6-4-5-7-18(15)19(26)25(17-10-8-16(23)9-11-17)13-12-24-20(27)21(2,3)14-22/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyDVQPMMKCXIWETO-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.16
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-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)benzamide
CID 62180324
3-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2,2-dimethylpropanamide
CID 90548105
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide (CID 42707122) is N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide is Cc1ccccc1C(=O)N(CCNC(=O)C(C)(C)CCl)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide?
The InChIKey is DVQPMMKCXIWETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-15-6-4-5-7-18(15)19(26)25(17-10-8-16(23)9-11-17)13-12-24-20(27)21(2,3)14-22/h4-11H,12-14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide?
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide has a molecular weight of 390.89 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]-N-(4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 42707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).