N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide

C20H20ClN3O3 — CID 71829706

IUPACN-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
SMILESCC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-12(2)18-20(27)24(16-6-4-3-5-15(16)19(26)23-18)11-17(25)22-14-9-7-13(21)8-10-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyNNMKTXGRJAQPCR-SFHVURJKSA-N
MW385.85 g/mol
LogP3.08
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide

N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide (PubChem CID 71829706) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
PubChem CID71829706
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
SMILESCC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-12(2)18-20(27)24(16-6-4-3-5-15(16)19(26)23-18)11-17(25)22-14-9-7-13(21)8-10-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyNNMKTXGRJAQPCR-SFHVURJKSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[(3R)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 96564219
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906777
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
1-(3-methylbutyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909583
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097274
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365483
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(3S)-3-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71692079
N-(4-chlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571668
2-[(3aS)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(4-chlorophenyl)acetamide
CID 98265859

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide (CID 71829706) is N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide is CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The InChIKey is NNMKTXGRJAQPCR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12(2)18-20(27)24(16-6-4-3-5-15(16)19(26)23-18)11-17(25)22-14-9-7-13(21)8-10-14/h3-10,12,18H,11H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide is sourced from PubChem (CID 71829706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).