1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione

C15H19ClN2O2 — CID 64882159

IUPAC1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)C1NC(=O)CCN(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-10(2)14-15(20)18(8-7-13(19)17-14)9-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,19)
InChIKeyULDWRNQDOFQQNS-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione

1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64882159) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64882159
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)C1NC(=O)CCN(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-10(2)14-15(20)18(8-7-13(19)17-14)9-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,19)
InChIKeyULDWRNQDOFQQNS-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione (CID 64882159) is 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione is CC(C)C1NC(=O)CCN(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is ULDWRNQDOFQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)14-15(20)18(8-7-13(19)17-14)9-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 294.78 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).