N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide

C14H19BrClN3O3 — CID 108882534

IUPACN-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O3/c1-10(20)17-6-7-19-14(21)18-5-2-8-22-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyPFJIQLWSZKFMQL-UHFFFAOYSA-N
MW392.68 g/mol
LogP2.31
Rot. Bonds8

About N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide

N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide (PubChem CID 108882534) has the molecular formula C14H19BrClN3O3 and a molecular weight of 392.68 g/mol. Its IUPAC name is N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
PubChem CID108882534
Molecular FormulaC14H19BrClN3O3
Molecular Weight392.68 g/mol
Exact Mass391.03
IUPAC NameN-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O3/c1-10(20)17-6-7-19-14(21)18-5-2-8-22-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyPFJIQLWSZKFMQL-UHFFFAOYSA-N
XLogP2.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108882550
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]urea
CID 108882522
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-propan-2-ylphenyl)urea
CID 108882287
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(1-hydroxybutan-2-yl)urea
CID 108882472
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-chlorophenyl)urea
CID 108882394
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
4-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]benzoic acid
CID 108882294
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-methyl-2-pyridinyl)urea
CID 108882569
methyl N-[2-[4-(4-bromo-2-chlorophenoxy)butanoylamino]ethyl]carbamate
CID 108572953

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide (CID 108882534) is N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NCCCOc1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide?
The InChIKey is PFJIQLWSZKFMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O3/c1-10(20)17-6-7-19-14(21)18-5-2-8-22-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide?
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide has a molecular weight of 392.68 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 108882534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).