[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium

C17H18ClFN3O2+ — CID 9307671

IUPAC[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c1-11(12-5-4-6-13(18)9-12)20-10-16(23)22-17(24)21-15-8-3-2-7-14(15)19/h2-9,11,20H,10H2,1H3,(H2,21,22,23,24)/p+1/t11-/m0/s1
InChIKeyGPLDZROJWZTZFQ-NSHDSACASA-O
MW350.80 g/mol
LogP2.45
Rot. Bonds5

About [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium (PubChem CID 9307671) has the molecular formula C17H18ClFN3O2+ and a molecular weight of 350.80 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
PubChem CID9307671
Molecular FormulaC17H18ClFN3O2+
Molecular Weight350.80 g/mol
Exact Mass350.11
IUPAC Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c1-11(12-5-4-6-13(18)9-12)20-10-16(23)22-17(24)21-15-8-3-2-7-14(15)19/h2-9,11,20H,10H2,1H3,(H2,21,22,23,24)/p+1/t11-/m0/s1
InChIKeyGPLDZROJWZTZFQ-NSHDSACASA-O
XLogP2.45
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307413
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599384

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium (CID 9307671) is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium?
The InChIKey is GPLDZROJWZTZFQ-NSHDSACASA-O. The full InChI is InChI=1S/C17H17ClFN3O2/c1-11(12-5-4-6-13(18)9-12)20-10-16(23)22-17(24)21-15-8-3-2-7-14(15)19/h2-9,11,20H,10H2,1H3,(H2,21,22,23,24)/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium?
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium has a molecular weight of 350.80 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9307671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).