N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide

C15H19ClN2O3 — CID 131951604

IUPACN-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2CCOCC2)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-17-15(20)12-4-3-11(9-13(12)16)18-14(19)10-5-7-21-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyJIOJVSVLQSDSFY-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.45
Rot. Bonds4

About N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide

N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide (PubChem CID 131951604) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
PubChem CID131951604
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2CCOCC2)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-17-15(20)12-4-3-11(9-13(12)16)18-14(19)10-5-7-21-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyJIOJVSVLQSDSFY-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
CID 75496705
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide
CID 131915716
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
4-[2-(azepan-1-yl)ethylcarbamoylamino]-2-chloro-N-ethylbenzamide
CID 118775045
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide (CID 131951604) is N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide is CCNC(=O)c1ccc(NC(=O)C2CCOCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide?
The InChIKey is JIOJVSVLQSDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-17-15(20)12-4-3-11(9-13(12)16)18-14(19)10-5-7-21-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide?
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 131951604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).