[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone

C19H21ClN2O2 — CID 60538980

IUPAC[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-3-2-4-15(11-14)13-21-16-5-6-17(18(20)12-16)19(23)22-7-9-24-10-8-22/h2-6,11-12,21H,7-10,13H2,1H3
InChIKeySQDOADINLYSJBV-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.73
Rot. Bonds4

About [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone

[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone (PubChem CID 60538980) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
PubChem CID60538980
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-3-2-4-15(11-14)13-21-16-5-6-17(18(20)12-16)19(23)22-7-9-24-10-8-22/h2-6,11-12,21H,7-10,13H2,1H3
InChIKeySQDOADINLYSJBV-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 60539207
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
ethyl 3-[[3-chloro-4-(morpholine-4-carbonyl)anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 60539004
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 154832638
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone (CID 60538980) is [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone is Cc1cccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1.
What is the InChIKey of [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SQDOADINLYSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-3-2-4-15(11-14)13-21-16-5-6-17(18(20)12-16)19(23)22-7-9-24-10-8-22/h2-6,11-12,21H,7-10,13H2,1H3.
What are the key properties of [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone?
[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 344.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 60538980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).