3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate

C19H16ClN2O4- — CID 7290554

IUPAC3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
SMILESO=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O4/c20-15-8-6-13(7-9-15)12-16(19(26)21-11-10-17(23)24)22-18(25)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/p-1/b16-12-
InChIKeyXUJMPCQZKXWGEP-VBKFSLOCSA-M
MW371.80 g/mol
LogP1.37
Rot. Bonds7

About 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate

3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate (PubChem CID 7290554) has the molecular formula C19H16ClN2O4- and a molecular weight of 371.80 g/mol. Its IUPAC name is 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Name3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
PubChem CID7290554
Molecular FormulaC19H16ClN2O4-
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
SMILESO=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O4/c20-15-8-6-13(7-9-15)12-16(19(26)21-11-10-17(23)24)22-18(25)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/p-1/b16-12-
InChIKeyXUJMPCQZKXWGEP-VBKFSLOCSA-M
XLogP1.37
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethylazanium
CID 7263753
3-[[(Z)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 2254916
N-[(Z)-3-(4-chloroanilino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6511350
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7405192
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873960
N-[3-(tert-butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 131865656
N-[3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2910041
(2S)-2-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylpentanoate
CID 2267529
4-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoate
CID 7381277
6-[(2-benzamido-3-phenylprop-2-enoyl)amino]hexanoic acid
CID 3143045
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
2-[[(E)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]acetate
CID 7032257

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate?
The IUPAC name of 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate (CID 7290554) is 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate.
What is the SMILES notation for 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate?
The canonical SMILES for 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate is O=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate?
The InChIKey is XUJMPCQZKXWGEP-VBKFSLOCSA-M. The full InChI is InChI=1S/C19H17ClN2O4/c20-15-8-6-13(7-9-15)12-16(19(26)21-11-10-17(23)24)22-18(25)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/p-1/b16-12-.
What are the key properties of 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate?
3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate has a molecular weight of 371.80 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate is sourced from PubChem (CID 7290554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).