2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide

C27H28ClN3O3 — CID 112772284

IUPAC2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H28ClN3O3/c28-24-9-5-4-8-23(24)27(33)30-25(21-6-2-1-3-7-21)18-26(32)29-22-12-10-20(11-13-22)19-31-14-16-34-17-15-31/h1-13,25H,14-19H2,(H,29,32)(H,30,33)
InChIKeyPLQNHSHJTMQTAE-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.67
Rot. Bonds8

About 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 112772284) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID112772284
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H28ClN3O3/c28-24-9-5-4-8-23(24)27(33)30-25(21-6-2-1-3-7-21)18-26(32)29-22-12-10-20(11-13-22)19-31-14-16-34-17-15-31/h1-13,25H,14-19H2,(H,29,32)(H,30,33)
InChIKeyPLQNHSHJTMQTAE-UHFFFAOYSA-N
XLogP4.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[2-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55899443
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 55723135
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 154773903
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
CID 26249276
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 112772284) is 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is PLQNHSHJTMQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c28-24-9-5-4-8-23(24)27(33)30-25(21-6-2-1-3-7-21)18-26(32)29-22-12-10-20(11-13-22)19-31-14-16-34-17-15-31/h1-13,25H,14-19H2,(H,29,32)(H,30,33).
What are the key properties of 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 477.99 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 112772284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).