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

C17H16Cl2FN3O2 — CID 8639730

IUPAC2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c1-10(12-7-15(20)14(19)8-13(12)18)21-9-16(24)23-17(25)22-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyKRPPEJWXOJWTSH-JTQLQIEISA-N
MW384.24 g/mol
LogP4.13
Rot. Bonds5

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

2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide (PubChem CID 8639730) has the molecular formula C17H16Cl2FN3O2 and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
PubChem CID8639730
Molecular FormulaC17H16Cl2FN3O2
Molecular Weight384.24 g/mol
Exact Mass383.06
IUPAC Name2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c1-10(12-7-15(20)14(19)8-13(12)18)21-9-16(24)23-17(25)22-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyKRPPEJWXOJWTSH-JTQLQIEISA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377442
N-(4-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377550
3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-N-methylbenzamide
CID 8639816
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-(2-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377512
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide (CID 8639730) is 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide is C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide?
The InChIKey is KRPPEJWXOJWTSH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2/c1-10(12-7-15(20)14(19)8-13(12)18)21-9-16(24)23-17(25)22-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,22,23,24,25)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide?
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide has a molecular weight of 384.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 8639730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).