2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C16H20ClNO5 — CID 120975465

IUPAC2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOCCOc1c(Cl)cccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C16H20ClNO5/c1-2-22-8-9-23-14-12(17)4-3-5-13(14)18-15(19)10-6-7-11(10)16(20)21/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyCVUCUXPNJWYTKR-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.80
Rot. Bonds8

About 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975465) has the molecular formula C16H20ClNO5 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975465
Molecular FormulaC16H20ClNO5
Molecular Weight341.79 g/mol
Exact Mass341.10
IUPAC Name2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOCCOc1c(Cl)cccc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C16H20ClNO5/c1-2-22-8-9-23-14-12(17)4-3-5-13(14)18-15(19)10-6-7-11(10)16(20)21/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyCVUCUXPNJWYTKR-UHFFFAOYSA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86863737
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
cis-(1R,2S)-2-[[3-(2-ethoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41452832
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975465) is 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is CCOCCOc1c(Cl)cccc1NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CVUCUXPNJWYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO5/c1-2-22-8-9-23-14-12(17)4-3-5-13(14)18-15(19)10-6-7-11(10)16(20)21/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 341.79 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).