N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide

C16H24ClN3O2 — CID 131943109

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)ccc1N(C)C)N1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c1-4-14(20-7-9-22-10-8-20)16(21)18-13-11-12(17)5-6-15(13)19(2)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyUDQLXCDEZIDOOE-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.46
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide (PubChem CID 131943109) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide
PubChem CID131943109
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)ccc1N(C)C)N1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c1-4-14(20-7-9-22-10-8-20)16(21)18-13-11-12(17)5-6-15(13)19(2)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyUDQLXCDEZIDOOE-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide (CID 131943109) is N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide is CCC(C(=O)Nc1cc(Cl)ccc1N(C)C)N1CCOCC1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide?
The InChIKey is UDQLXCDEZIDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-14(20-7-9-22-10-8-20)16(21)18-13-11-12(17)5-6-15(13)19(2)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide has a molecular weight of 325.84 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 131943109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).