N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

C23H25ClN2O3 — CID 7732606

IUPACN-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H25ClN2O3/c1-5-14(2)25-22(27)13-19-15(3)26(21-11-10-18(29-4)12-20(19)21)23(28)16-6-8-17(24)9-7-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)/t14-/m1/s1
InChIKeyZSYGHBADRJNZOU-CQSZACIVSA-N
MW412.92 g/mol
LogP4.76
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (PubChem CID 7732606) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
PubChem CID7732606
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H25ClN2O3/c1-5-14(2)25-22(27)13-19-15(3)26(21-11-10-18(29-4)12-20(19)21)23(28)16-6-8-17(24)9-7-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)/t14-/m1/s1
InChIKeyZSYGHBADRJNZOU-CQSZACIVSA-N
XLogP4.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (CID 7732606) is N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is CC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The InChIKey is ZSYGHBADRJNZOU-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-5-14(2)25-22(27)13-19-15(3)26(21-11-10-18(29-4)12-20(19)21)23(28)16-6-8-17(24)9-7-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide has a molecular weight of 412.92 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 7732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).