(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid

C19H20ClNO3 — CID 87354497

IUPAC(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid
SMILESO=C(Cl)CCN(CC(Cc1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20ClNO3/c20-18(22)11-12-21(19(23)24)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,23,24)
InChIKeyNRQPZNZGBNOINY-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.15
Rot. Bonds8

About (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid

(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid (PubChem CID 87354497) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid.

Molecular Properties

Compound Name(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid
PubChem CID87354497
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid
SMILESO=C(Cl)CCN(CC(Cc1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20ClNO3/c20-18(22)11-12-21(19(23)24)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,23,24)
InChIKeyNRQPZNZGBNOINY-UHFFFAOYSA-N
XLogP4.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134938963
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hydrogen peroxide;1-phenylbutan-2-ylbenzene
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4-phenylbutanoyl chloride
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(2S)-2-bromo-3-phenylpropanoyl chloride
CID 87208582
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122005203
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CID 159042556
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
4-(2,3-diphenylpropyl)phthalic acid
CID 174539702
N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
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ethane;3-phenylpropanoyl chloride
CID 90742356

Frequently Asked Questions

What is the IUPAC name of (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid?
The IUPAC name of (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid (CID 87354497) is (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid.
What is the SMILES notation for (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid?
The canonical SMILES for (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid is O=C(Cl)CCN(CC(Cc1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid?
The InChIKey is NRQPZNZGBNOINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-18(22)11-12-21(19(23)24)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,23,24).
What are the key properties of (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid?
(3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid has a molecular weight of 345.83 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-3-oxopropyl)-(2,3-diphenylpropyl)carbamic acid is sourced from PubChem (CID 87354497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).