N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide

C24H26F2N2O4 — CID 42861711

IUPACN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)c1
InChIInChI=1S/C24H26F2N2O4/c1-31-19-4-2-3-17(11-19)23(29)28(13-16-5-6-16)15-20-14-27(9-10-32-20)24(30)21-8-7-18(25)12-22(21)26/h2-4,7-8,11-12,16,20H,5-6,9-10,13-15H2,1H3
InChIKeyKMWJONYZKBAXIH-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.37
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide

N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide (PubChem CID 42861711) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
PubChem CID42861711
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)c1
InChIInChI=1S/C24H26F2N2O4/c1-31-19-4-2-3-17(11-19)23(29)28(13-16-5-6-16)15-20-14-27(9-10-32-20)24(30)21-8-7-18(25)12-22(21)26/h2-4,7-8,11-12,16,20H,5-6,9-10,13-15H2,1H3
InChIKeyKMWJONYZKBAXIH-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861712
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060532
N-[[(2S)-4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93338336
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide (CID 42861711) is N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(CC2CC2)CC2CN(C(=O)c3ccc(F)cc3F)CCO2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide?
The InChIKey is KMWJONYZKBAXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4/c1-31-19-4-2-3-17(11-19)23(29)28(13-16-5-6-16)15-20-14-27(9-10-32-20)24(30)21-8-7-18(25)12-22(21)26/h2-4,7-8,11-12,16,20H,5-6,9-10,13-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 444.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 42861711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).