2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H21ClN2O5 — CID 119180625

IUPAC2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C17H21ClN2O5/c1-3-20(4-2)15(21)9-25-14-6-5-10(7-13(14)18)19-16(22)11-8-12(11)17(23)24/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyQUENPZMVAZLTER-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.25
Rot. Bonds8

About 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119180625) has the molecular formula C17H21ClN2O5 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119180625
Molecular FormulaC17H21ClN2O5
Molecular Weight368.82 g/mol
Exact Mass368.11
IUPAC Name2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C17H21ClN2O5/c1-3-20(4-2)15(21)9-25-14-6-5-10(7-13(14)18)19-16(22)11-8-12(11)17(23)24/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyQUENPZMVAZLTER-UHFFFAOYSA-N
XLogP2.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120923488
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 47028925
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 46423572

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119180625) is 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CCN(CC)C(=O)COc1ccc(NC(=O)C2CC2C(=O)O)cc1Cl.
What is the InChIKey of 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QUENPZMVAZLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5/c1-3-20(4-2)15(21)9-25-14-6-5-10(7-13(14)18)19-16(22)11-8-12(11)17(23)24/h5-7,11-12H,3-4,8-9H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 368.82 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).