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

C18H18Cl2FN3O2 — CID 9377778

IUPACN-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2FN3O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(26)24-13-5-3-12(4-6-13)23-11(2)25/h3-8,10,22H,9H2,1-2H3,(H,23,25)(H,24,26)/t10-/m1/s1
InChIKeyCKAKFCGWRLWHLB-SNVBAGLBSA-N
MW398.27 g/mol
LogP4.38
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (PubChem CID 9377778) has the molecular formula C18H18Cl2FN3O2 and a molecular weight of 398.27 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
PubChem CID9377778
Molecular FormulaC18H18Cl2FN3O2
Molecular Weight398.27 g/mol
Exact Mass397.08
IUPAC NameN-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2FN3O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(26)24-13-5-3-12(4-6-13)23-11(2)25/h3-8,10,22H,9H2,1-2H3,(H,23,25)(H,24,26)/t10-/m1/s1
InChIKeyCKAKFCGWRLWHLB-SNVBAGLBSA-N
XLogP4.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 54.38
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-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756
N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377442
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8639730
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-N-methylbenzamide
CID 8639816
N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377550
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839
N-(2-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377512
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (CID 9377778) is N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is CKAKFCGWRLWHLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(26)24-13-5-3-12(4-6-13)23-11(2)25/h3-8,10,22H,9H2,1-2H3,(H,23,25)(H,24,26)/t10-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 398.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9377778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).