4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

C14H19ClN2O4 — CID 82937979

IUPAC4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C(C)C
InChIInChI=1S/C14H19ClN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-8-10(15)4-5-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMEIFXHJSDWITPW-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.93
Rot. Bonds6

About 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid

4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 82937979) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID82937979
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C(C)C
InChIInChI=1S/C14H19ClN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-8-10(15)4-5-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMEIFXHJSDWITPW-UHFFFAOYSA-N
XLogP2.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939588
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82938292
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
4-chloro-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62335862
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61194941
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
4-chloro-2-(2,3-dimethoxypropylamino)benzoic acid
CID 114102004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid (CID 82937979) is 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is COCCN(C(=O)Nc1cc(Cl)ccc1C(=O)O)C(C)C.
What is the InChIKey of 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is MEIFXHJSDWITPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-9(2)17(6-7-21-3)14(20)16-12-8-10(15)4-5-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid?
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 82937979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).