N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide

C18H15ClN4O3 — CID 55611056

IUPACN-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H15ClN4O3/c1-2-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-10-7-8-13(16(20)24)14(19)9-10/h3-9H,2H2,1H3,(H2,20,24)(H,21,25)
InChIKeyCBCKZQSUVIHLHN-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.42
Rot. Bonds4

About N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 55611056) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID55611056
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H15ClN4O3/c1-2-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-10-7-8-13(16(20)24)14(19)9-10/h3-9H,2H2,1H3,(H2,20,24)(H,21,25)
InChIKeyCBCKZQSUVIHLHN-UHFFFAOYSA-N
XLogP2.42
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(4-carbamoyl-3-chlorophenyl)-4-oxophthalazine-1-carboxamide
CID 39170985
1-(3-chloro-4-methylphenyl)-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea
CID 8746174
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55780340
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7924369
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 135747828
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46535969
N'-(4-chloro-2-iodobenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 39704558
ethyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiophene-3-carboxylate
CID 17442618
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (CID 55611056) is N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is CBCKZQSUVIHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-2-23-18(26)12-6-4-3-5-11(12)15(22-23)17(25)21-10-7-8-13(16(20)24)14(19)9-10/h3-9H,2H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55611056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).