2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide

C19H19BrClFN2O2 — CID 132611888

IUPAC2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19BrClFN2O2/c1-12(19(26)23-2)24(11-13-6-8-14(20)9-7-13)18(25)10-15-16(21)4-3-5-17(15)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyYNVIYSCRGKJNGM-UHFFFAOYSA-N
MW441.73 g/mol
LogP3.95
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide

2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 132611888) has the molecular formula C19H19BrClFN2O2 and a molecular weight of 441.73 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide
PubChem CID132611888
Molecular FormulaC19H19BrClFN2O2
Molecular Weight441.73 g/mol
Exact Mass440.03
IUPAC Name2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19BrClFN2O2/c1-12(19(26)23-2)24(11-13-6-8-14(20)9-7-13)18(25)10-15-16(21)4-3-5-17(15)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyYNVIYSCRGKJNGM-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196489
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132763474
2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132660627
(2R)-2-[(4-bromophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100646016
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663911
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575650
(2S)-2-[(3-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100731098
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549776
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133206643
(2S)-2-[(3-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 100565439
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624577

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide (CID 132611888) is 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is YNVIYSCRGKJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O2/c1-12(19(26)23-2)24(11-13-6-8-14(20)9-7-13)18(25)10-15-16(21)4-3-5-17(15)22/h3-9,12H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide?
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 441.73 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132611888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).