5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid

C15H19ClN2O3 — CID 79359991

IUPAC5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid
SMILESCC1(C)C(NC(=O)Nc2ccc(Cl)cc2C(=O)O)C1(C)C
InChIInChI=1S/C15H19ClN2O3/c1-14(2)12(15(14,3)4)18-13(21)17-10-6-5-8(16)7-9(10)11(19)20/h5-7,12H,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyHWRSWRHJQZIHCI-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid

5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid (PubChem CID 79359991) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid
PubChem CID79359991
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid
SMILESCC1(C)C(NC(=O)Nc2ccc(Cl)cc2C(=O)O)C1(C)C
InChIInChI=1S/C15H19ClN2O3/c1-14(2)12(15(14,3)4)18-13(21)17-10-6-5-8(16)7-9(10)11(19)20/h5-7,12H,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyHWRSWRHJQZIHCI-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 61187936
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 61202417
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
5-chloro-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82938792
5-chloro-2-(methylcarbamothioylamino)benzoic acid
CID 91687135
5-chloro-2-(1-phenylethylcarbamoylamino)benzoic acid
CID 23444449
5-chloro-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61197814
5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid
CID 29069723
2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 114027695
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid (CID 79359991) is 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid is CC1(C)C(NC(=O)Nc2ccc(Cl)cc2C(=O)O)C1(C)C.
What is the InChIKey of 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid?
The InChIKey is HWRSWRHJQZIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-14(2)12(15(14,3)4)18-13(21)17-10-6-5-8(16)7-9(10)11(19)20/h5-7,12H,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid?
5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 79359991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).