N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide

C18H16ClN3O4 — CID 18982102

IUPACN-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESCCOc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C18H16ClN3O4/c1-2-25-18-15(22-16(23)13-4-3-9-26-13)17(24)20-14(21-18)10-11-5-7-12(19)8-6-11/h3-9H,2,10H2,1H3,(H,22,23)(H,20,21,24)
InChIKeySJEISGKGKAARSA-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.26
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide

N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 18982102) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID18982102
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESCCOc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C18H16ClN3O4/c1-2-25-18-15(22-16(23)13-4-3-9-26-13)17(24)20-14(21-18)10-11-5-7-12(19)8-6-11/h3-9H,2,10H2,1H3,(H,22,23)(H,20,21,24)
InChIKeySJEISGKGKAARSA-UHFFFAOYSA-N
XLogP3.26
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-(4-amino-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)furan-2-carboxamide
CID 135516367
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
N-(4-amino-2-butylsulfanyl-6-oxo-1H-pyrimidin-5-yl)furan-2-carboxamide
CID 135449149
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-(2,6-difluoro-3-methylphenyl)furan-2-carboxamide
CID 82820386
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 18982102) is N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is CCOc1nc(Cc2ccc(Cl)cc2)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is SJEISGKGKAARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-2-25-18-15(22-16(23)13-4-3-9-26-13)17(24)20-14(21-18)10-11-5-7-12(19)8-6-11/h3-9H,2,10H2,1H3,(H,22,23)(H,20,21,24).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]-4-ethoxy-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 18982102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).