2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C19H21F2N3O2 — CID 9369354

IUPAC2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H21F2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKeyRCLLCMLQPPHCBQ-CYBMUJFWSA-N
MW361.39 g/mol
LogP3.58
Rot. Bonds5

About 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 9369354) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID9369354
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H21F2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKeyRCLLCMLQPPHCBQ-CYBMUJFWSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396776
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9307643
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 9369354) is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is RCLLCMLQPPHCBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-4-7-17(12(2)8-11)23-19(26)24-18(25)10-22-13(3)15-6-5-14(20)9-16(15)21/h4-9,13,22H,10H2,1-3H3,(H2,23,24,25,26)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 361.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 9369354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).