4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide

C16H20ClN3O3 — CID 71914612

IUPAC4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CC(O)COc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C16H20ClN3O3/c1-20(2)9-13(21)10-23-14-5-3-12(4-6-14)19-16(22)15-7-11(17)8-18-15/h3-8,13,18,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyLUAQWDUIGYICSI-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.22
Rot. Bonds7

About 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 71914612) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID71914612
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CC(O)COc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C16H20ClN3O3/c1-20(2)9-13(21)10-23-14-5-3-12(4-6-14)19-16(22)15-7-11(17)8-18-15/h3-8,13,18,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyLUAQWDUIGYICSI-UHFFFAOYSA-N
XLogP2.22
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 47085454
ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
CID 87018723
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
4-chloro-N-(3-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47340946
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide (CID 71914612) is 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide is CN(C)CC(O)COc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LUAQWDUIGYICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-20(2)9-13(21)10-23-14-5-3-12(4-6-14)19-16(22)15-7-11(17)8-18-15/h3-8,13,18,21H,9-10H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71914612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).