N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide

C16H18ClNO3 — CID 37408098

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)o1
InChIInChI=1S/C16H18ClNO3/c1-10(2)9-20-14-7-5-12(8-13(14)17)18-16(19)15-6-4-11(3)21-15/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyHEFJJJNZAYRSLG-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.53
Rot. Bonds5

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 37408098) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
PubChem CID37408098
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)o1
InChIInChI=1S/C16H18ClNO3/c1-10(2)9-20-14-7-5-12(8-13(14)17)18-16(19)15-6-4-11(3)21-15/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyHEFJJJNZAYRSLG-UHFFFAOYSA-N
XLogP4.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
CID 73058458
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
CID 55599362
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
CID 55599525
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide (CID 37408098) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)o1.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is HEFJJJNZAYRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(2)9-20-14-7-5-12(8-13(14)17)18-16(19)15-6-4-11(3)21-15/h4-8,10H,9H2,1-3H3,(H,18,19).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 37408098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).