prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate

C19H19ClN2O3 — CID 40626177

IUPACprop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O3/c1-2-11-25-18(23)17(12-14-7-4-3-5-8-14)22-19(24)21-16-10-6-9-15(20)13-16/h2-10,13,17H,1,11-12H2,(H2,21,22,24)/t17-/m1/s1
InChIKeyZRSMEJYTXCXIBI-QGZVFWFLSA-N
MW358.83 g/mol
LogP3.80
Rot. Bonds7

About prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate

prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 40626177) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID40626177
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Nameprop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
SMILESC=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O3/c1-2-11-25-18(23)17(12-14-7-4-3-5-8-14)22-19(24)21-16-10-6-9-15(20)13-16/h2-10,13,17H,1,11-12H2,(H2,21,22,24)/t17-/m1/s1
InChIKeyZRSMEJYTXCXIBI-QGZVFWFLSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
2-[(3,5-dichlorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4032418
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 10229409
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
CID 131851120
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate (CID 40626177) is prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate is C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is ZRSMEJYTXCXIBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-11-25-18(23)17(12-14-7-4-3-5-8-14)22-19(24)21-16-10-6-9-15(20)13-16/h2-10,13,17H,1,11-12H2,(H2,21,22,24)/t17-/m1/s1.
What are the key properties of prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate?
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 358.83 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 40626177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).