6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide

C19H16ClN3O2 — CID 171836519

IUPAC6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)cc1)c1cc(Cl)ncn1
InChIInChI=1S/C19H16ClN3O2/c20-18-12-17(21-13-22-18)19(24)23-15-6-8-16(9-7-15)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)
InChIKeyGMTIXMHUWHWGEE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.00
Rot. Bonds6

About 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide

6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 171836519) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID171836519
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)cc1)c1cc(Cl)ncn1
InChIInChI=1S/C19H16ClN3O2/c20-18-12-17(21-13-22-18)19(24)23-15-6-8-16(9-7-15)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)
InChIKeyGMTIXMHUWHWGEE-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide (CID 171836519) is 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(OCCc2ccccc2)cc1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is GMTIXMHUWHWGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-18-12-17(21-13-22-18)19(24)23-15-6-8-16(9-7-15)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24).
What are the key properties of 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 171836519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).