2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide

C17H18ClFN2O — CID 9307279

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-7-8-16(15(19)9-11)21-17(22)10-20-12(2)13-5-3-4-6-14(13)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyRBBGMOVXTXDQNI-LBPRGKRZSA-N
MW320.80 g/mol
LogP4.08
Rot. Bonds5

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 9307279) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID9307279
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2O/c1-11-7-8-16(15(19)9-11)21-17(22)10-20-12(2)13-5-3-4-6-14(13)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyRBBGMOVXTXDQNI-LBPRGKRZSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide (CID 9307279) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is RBBGMOVXTXDQNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11-7-8-16(15(19)9-11)21-17(22)10-20-12(2)13-5-3-4-6-14(13)18/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 320.80 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9307279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).