N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C14H19ClFN3O2 — CID 113060111

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3O2/c1-9(2)18-14(21)17-6-7-19(10(3)20)11-4-5-13(16)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,21)
InChIKeyKUGQYKKAPQOGED-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.54
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113060111) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113060111
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3O2/c1-9(2)18-14(21)17-6-7-19(10(3)20)11-4-5-13(16)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,21)
InChIKeyKUGQYKKAPQOGED-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113064473
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113060111) is N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is KUGQYKKAPQOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O2/c1-9(2)18-14(21)17-6-7-19(10(3)20)11-4-5-13(16)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 315.78 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113060111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).