[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

C19H23ClFN2O2+ — CID 8646070

IUPAC[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-4-17(13-5-8-15(25-3)9-6-13)22-12(2)19(24)23-18-10-7-14(21)11-16(18)20/h5-12,17,22H,4H2,1-3H3,(H,23,24)/p+1/t12-,17+/m1/s1
InChIKeyLSKUDVUHHCWPAI-PXAZEXFGSA-O
MW365.86 g/mol
LogP3.53
Rot. Bonds7

About [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (PubChem CID 8646070) has the molecular formula C19H23ClFN2O2+ and a molecular weight of 365.86 g/mol. Its IUPAC name is [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
PubChem CID8646070
Molecular FormulaC19H23ClFN2O2+
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-4-17(13-5-8-15(25-3)9-6-13)22-12(2)19(24)23-18-10-7-14(21)11-16(18)20/h5-12,17,22H,4H2,1-3H3,(H,23,24)/p+1/t12-,17+/m1/s1
InChIKeyLSKUDVUHHCWPAI-PXAZEXFGSA-O
XLogP3.53
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8646266
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
CID 8646102
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 55316500
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-[(S)-(4-methoxyphenyl)-phenylmethyl]azanium
CID 9172073
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The IUPAC name of [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (CID 8646070) is [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.
What is the SMILES notation for [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The canonical SMILES for [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The InChIKey is LSKUDVUHHCWPAI-PXAZEXFGSA-O. The full InChI is InChI=1S/C19H22ClFN2O2/c1-4-17(13-5-8-15(25-3)9-6-13)22-12(2)19(24)23-18-10-7-14(21)11-16(18)20/h5-12,17,22H,4H2,1-3H3,(H,23,24)/p+1/t12-,17+/m1/s1.
What are the key properties of [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium has a molecular weight of 365.86 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is sourced from PubChem (CID 8646070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).