N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide

C18H20ClN3O2 — CID 119867082

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-9-14(22-18(23)11-20-10-13-4-5-13)6-7-17(16)24-12-15-3-1-2-8-21-15/h1-3,6-9,13,20H,4-5,10-12H2,(H,22,23)
InChIKeyDNRVFJVNMLLJOY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.25
Rot. Bonds8

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119867082) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119867082
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-16-9-14(22-18(23)11-20-10-13-4-5-13)6-7-17(16)24-12-15-3-1-2-8-21-15/h1-3,6-9,13,20H,4-5,10-12H2,(H,22,23)
InChIKeyDNRVFJVNMLLJOY-UHFFFAOYSA-N
XLogP3.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
N-[1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutyl]prop-2-enamide
CID 172888497
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60600808
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-methyl-1-[(1S,2R)-2-methylcyclohexyl]urea
CID 97023380
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 75396327
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide (CID 119867082) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is DNRVFJVNMLLJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-9-14(22-18(23)11-20-10-13-4-5-13)6-7-17(16)24-12-15-3-1-2-8-21-15/h1-3,6-9,13,20H,4-5,10-12H2,(H,22,23).
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119867082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).