N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide

C20H21ClN2O2 — CID 26254416

IUPACN-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+/t14-/m1/s1
InChIKeyCQZHTYDLPPLFJT-JWAFFJSPSA-N
MW356.85 g/mol
LogP4.52
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide

N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 26254416) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID26254416
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+/t14-/m1/s1
InChIKeyCQZHTYDLPPLFJT-JWAFFJSPSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
N-[(2S)-butan-2-yl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 26706277
N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 43013684
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 26253532
(E)-4-[2-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17151177
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26254393
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide (CID 26254416) is N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is CQZHTYDLPPLFJT-JWAFFJSPSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide?
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 26254416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).