(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide

C12H13ClFN3O — CID 121401326

IUPAC(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)[C@H](N)Cc1c[nH]c2c(Cl)c(F)ccc12
InChIInChI=1S/C12H13ClFN3O/c1-16-12(18)9(15)4-6-5-17-11-7(6)2-3-8(14)10(11)13/h2-3,5,9,17H,4,15H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyLDTNTLXIZRWXJK-SECBINFHSA-N
MW269.71 g/mol
LogP1.58
Rot. Bonds3

About (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide

(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide (PubChem CID 121401326) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide
PubChem CID121401326
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)[C@H](N)Cc1c[nH]c2c(Cl)c(F)ccc12
InChIInChI=1S/C12H13ClFN3O/c1-16-12(18)9(15)4-6-5-17-11-7(6)2-3-8(14)10(11)13/h2-3,5,9,17H,4,15H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyLDTNTLXIZRWXJK-SECBINFHSA-N
XLogP1.58
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
CID 15677225
2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
CID 134607267
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142411299
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
(2S)-2-amino-N-[(2S)-3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 59029626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide (CID 121401326) is (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide is CNC(=O)[C@H](N)Cc1c[nH]c2c(Cl)c(F)ccc12.
What is the InChIKey of (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is LDTNTLXIZRWXJK-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-16-12(18)9(15)4-6-5-17-11-7(6)2-3-8(14)10(11)13/h2-3,5,9,17H,4,15H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 269.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 121401326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).