N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide

C17H19ClFN3O — CID 77092054

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(CC)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN3O/c1-3-6-16-12(9-20-11-21-16)17(23)22(4-2)10-13-14(18)7-5-8-15(13)19/h5,7-9,11H,3-4,6,10H2,1-2H3
InChIKeyZLRZRSQLDPYFNA-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.88
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide (PubChem CID 77092054) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide
PubChem CID77092054
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(CC)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN3O/c1-3-6-16-12(9-20-11-21-16)17(23)22(4-2)10-13-14(18)7-5-8-15(13)19/h5,7-9,11H,3-4,6,10H2,1-2H3
InChIKeyZLRZRSQLDPYFNA-UHFFFAOYSA-N
XLogP3.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
[5-[(2-chloro-6-fluorophenyl)methyl]-6-propyl-2-pyridin-2-ylpyrimidin-4-yl] N,N-diethylcarbamate
CID 2730744
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-methylacetamide
CID 55461829
1-[(2-chloro-6-fluorophenyl)methyl]-3-propyl-1-(pyridin-3-ylmethyl)thiourea
CID 17387781
1-(4-butylpyrimidin-5-yl)ethanone
CID 134232380
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 63022823
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide (CID 77092054) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N(CC)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide?
The InChIKey is ZLRZRSQLDPYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-3-6-16-12(9-20-11-21-16)17(23)22(4-2)10-13-14(18)7-5-8-15(13)19/h5,7-9,11H,3-4,6,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77092054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).