4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide

C14H18ClN3O3 — CID 66240431

IUPAC4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-18(2)14(20)9-5-8(3-4-11(9)15)17-13(19)10-6-21-7-12(10)16/h3-5,10,12H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyIXKJJNXQLKIKHX-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.95
Rot. Bonds3

About 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide

4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide (PubChem CID 66240431) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
PubChem CID66240431
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-18(2)14(20)9-5-8(3-4-11(9)15)17-13(19)10-6-21-7-12(10)16/h3-5,10,12H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyIXKJJNXQLKIKHX-UHFFFAOYSA-N
XLogP0.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787010
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide (CID 66240431) is 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide is CN(C)C(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl.
What is the InChIKey of 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The InChIKey is IXKJJNXQLKIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-18(2)14(20)9-5-8(3-4-11(9)15)17-13(19)10-6-21-7-12(10)16/h3-5,10,12H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide?
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).