(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide

C19H19Cl2FN2O — CID 9044058

IUPAC(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O/c1-11(14-9-17(22)16(21)10-15(14)20)23-18(12-5-3-2-4-6-12)19(25)24-13-7-8-13/h2-6,9-11,13,18,23H,7-8H2,1H3,(H,24,25)/t11-,18-/m0/s1
InChIKeySDCZZBJGOAEUFF-VOJFVSQTSA-N
MW381.28 g/mol
LogP4.80
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide (PubChem CID 9044058) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
PubChem CID9044058
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC Name(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
SMILESC[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O/c1-11(14-9-17(22)16(21)10-15(14)20)23-18(12-5-3-2-4-6-12)19(25)24-13-7-8-13/h2-6,9-11,13,18,23H,7-8H2,1H3,(H,24,25)/t11-,18-/m0/s1
InChIKeySDCZZBJGOAEUFF-VOJFVSQTSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24594116
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]azanium
CID 8639422
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
CID 83058705
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
CID 8646021

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide (CID 9044058) is (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide is C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide?
The InChIKey is SDCZZBJGOAEUFF-VOJFVSQTSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c1-11(14-9-17(22)16(21)10-15(14)20)23-18(12-5-3-2-4-6-12)19(25)24-13-7-8-13/h2-6,9-11,13,18,23H,7-8H2,1H3,(H,24,25)/t11-,18-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide has a molecular weight of 381.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 9044058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).