N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide

C13H16ClN3O3 — CID 115953806

IUPACN-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)NC(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C13H16ClN3O3/c14-10-3-1-2-8(6-16-9-4-5-9)12(10)20-7-11(18)17-13(15)19/h1-3,9,16H,4-7H2,(H3,15,17,18,19)
InChIKeyHDKPGQJYSAHFTL-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.17
Rot. Bonds6

About N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide

N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide (PubChem CID 115953806) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
PubChem CID115953806
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)NC(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C13H16ClN3O3/c14-10-3-1-2-8(6-16-9-4-5-9)12(10)20-7-11(18)17-13(15)19/h1-3,9,16H,4-7H2,(H3,15,17,18,19)
InChIKeyHDKPGQJYSAHFTL-UHFFFAOYSA-N
XLogP1.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
CID 122142322

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide (CID 115953806) is N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide is NC(=O)NC(=O)COc1c(Cl)cccc1CNC1CC1.
What is the InChIKey of N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide?
The InChIKey is HDKPGQJYSAHFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-10-3-1-2-8(6-16-9-4-5-9)12(10)20-7-11(18)17-13(15)19/h1-3,9,16H,4-7H2,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide?
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide has a molecular weight of 297.74 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 115953806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).