N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide

C17H18ClNO2 — CID 172745798

IUPACN-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide
SMILES[2H]C([2H])(Cc1cc(Cl)cc2ccc(OC3CC3)cc12)NC(C)=O
InChIInChI=1S/C17H18ClNO2/c1-11(20)19-7-6-13-9-14(18)8-12-2-3-16(10-17(12)13)21-15-4-5-15/h2-3,8-10,15H,4-7H2,1H3,(H,19,20)/i7D2
InChIKeyJRZFVSQMNLHGHY-RJSZUWSASA-N
MW305.80 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide

N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide (PubChem CID 172745798) has the molecular formula C17H18ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide
PubChem CID172745798
Molecular FormulaC17H18ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC NameN-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide
SMILES[2H]C([2H])(Cc1cc(Cl)cc2ccc(OC3CC3)cc12)NC(C)=O
InChIInChI=1S/C17H18ClNO2/c1-11(20)19-7-6-13-9-14(18)8-12-2-3-16(10-17(12)13)21-15-4-5-15/h2-3,8-10,15H,4-7H2,1H3,(H,19,20)/i7D2
InChIKeyJRZFVSQMNLHGHY-RJSZUWSASA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide?
The IUPAC name of N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide (CID 172745798) is N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide?
The canonical SMILES for N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide is [2H]C([2H])(Cc1cc(Cl)cc2ccc(OC3CC3)cc12)NC(C)=O.
What is the InChIKey of N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide?
The InChIKey is JRZFVSQMNLHGHY-RJSZUWSASA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(20)19-7-6-13-9-14(18)8-12-2-3-16(10-17(12)13)21-15-4-5-15/h2-3,8-10,15H,4-7H2,1H3,(H,19,20)/i7D2.
What are the key properties of N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide?
N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide has a molecular weight of 305.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-7-cyclopropyloxynaphthalen-1-yl)-1,1-dideuterioethyl]acetamide is sourced from PubChem (CID 172745798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).