2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid

C14H19ClN2O3 — CID 63723127

IUPAC2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
SMILESCCCCN(CC)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-3-5-9-17(4-2)14(20)16-11-8-6-7-10(15)12(11)13(18)19/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLWEDUQIMRMCIRP-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.69
Rot. Bonds6

About 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid

2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid (PubChem CID 63723127) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
PubChem CID63723127
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
SMILESCCCCN(CC)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-3-5-9-17(4-2)14(20)16-11-8-6-7-10(15)12(11)13(18)19/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLWEDUQIMRMCIRP-UHFFFAOYSA-N
XLogP3.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
CID 61186414
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
2-(diethylcarbamoylamino)-6-fluorobenzoic acid
CID 61187513
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid?
The IUPAC name of 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid (CID 63723127) is 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid?
The canonical SMILES for 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid is CCCCN(CC)C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid?
The InChIKey is LWEDUQIMRMCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-5-9-17(4-2)14(20)16-11-8-6-7-10(15)12(11)13(18)19/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid?
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid is sourced from PubChem (CID 63723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).