N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide

C20H20ClNO3 — CID 166401808

IUPACN-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide
SMILESO=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H20ClNO3/c21-17-7-5-16(6-8-17)20(12-24-13-20)22-19(23)15-3-9-18(10-4-15)25-11-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,22,23)
InChIKeyAEIVPFIXXNFCCJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide

N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide (PubChem CID 166401808) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide
PubChem CID166401808
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide
SMILESO=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H20ClNO3/c21-17-7-5-16(6-8-17)20(12-24-13-20)22-19(23)15-3-9-18(10-4-15)25-11-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,22,23)
InChIKeyAEIVPFIXXNFCCJ-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide;4-(cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 158610430
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
CID 119566289
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide
CID 166401794
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
4-(cyclohexylmethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide
CID 167821623
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide (CID 166401808) is N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide is O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide?
The InChIKey is AEIVPFIXXNFCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-17-7-5-16(6-8-17)20(12-24-13-20)22-19(23)15-3-9-18(10-4-15)25-11-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,22,23).
What are the key properties of N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide?
N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide has a molecular weight of 357.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 166401808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).